2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline

C16H17ClFNO2 — CID 83058858

IUPAC2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NC(C)c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C16H17ClFNO2/c1-10(11-4-7-14(18)16(8-11)21-3)19-15-9-12(20-2)5-6-13(15)17/h4-10,19H,1-3H3
InChIKeyYZGAZPPKQVFLHF-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.67
Rot. Bonds5

About 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline

2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline (PubChem CID 83058858) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
PubChem CID83058858
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NC(C)c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C16H17ClFNO2/c1-10(11-4-7-14(18)16(8-11)21-3)19-15-9-12(20-2)5-6-13(15)17/h4-10,19H,1-3H3
InChIKeyYZGAZPPKQVFLHF-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline?
The IUPAC name of 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline (CID 83058858) is 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline.
What is the SMILES notation for 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline?
The canonical SMILES for 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline is COc1ccc(Cl)c(NC(C)c2ccc(F)c(OC)c2)c1.
What is the InChIKey of 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline?
The InChIKey is YZGAZPPKQVFLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-10(11-4-7-14(18)16(8-11)21-3)19-15-9-12(20-2)5-6-13(15)17/h4-10,19H,1-3H3.
What are the key properties of 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline?
2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline has a molecular weight of 309.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline is sourced from PubChem (CID 83058858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).