N-(4-fluorophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C20H18FNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)F, and by the IUPAC name[cheminf_000107]: N-(4-fluorophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline.

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-48278

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 101.0 (°C)
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000736 | electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)

CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

这是一个与分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。
该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行描述：
InChI描述符[cheminf_000113]：InChI=1S/C20H18FNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3,
规范SMILES描述符[cheminf_000007]：COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)F,
IUPAC名称[cheminf_000107]：N-(4-fluorophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline。

该物理化学实体[CHEBI_24431]含有一个组分溶剂[CHEBI_46787]，其通过规范SMILES描述符[cheminf_000007]描述：

该物理化学实体[CHEBI_24431]在研究数据仓库chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID为：CRS-48278

该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行描述：
熔点描述符[CHEMINF_000256]：101.0（℃）
沸点描述符[CHEMINF_000257]：
折射率描述符[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]可通过以下分析方法[OBI:0000070][CHMO:0001133]进一步描述：

CHMO:0000736 | 电喷雾电离飞行时间质谱法（ESI TOF MS）

CHMO:0000597 | 19F核磁共振波谱法（19F NMR）

CHMO:0000593 | 1H核磁共振波谱法（1H NMR）

CHMO:0001146 | 1H--13C异核单量子相干谱（1H-13C HSQC）

CHMO:0000596 | 无畸变极化转移增强谱（DEPT）

CHMO:0001150 | 1H--1H相关谱（1H-1H COSY）

CHMO:0000630 | 红外吸收光谱法（IR）

CHMO:0000595 | 13C核磁共振波谱法（13C NMR）

该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（Karlsruhe Insitute of Technology，KIT）的分子档案库，样本ID为：

使用的本体：
CHEBI - 生物感兴趣的化学实体
CHEMINF - 化学信息本体（关于化学实体的信息实体）
CHMO - 化学方法本体
OBI - 生物医学研究本体