3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline

C15H14ClF2NO — CID 107364141

IUPAC3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(F)c1C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(15-13(18)4-3-5-14(15)20-2)19-12-7-10(16)6-11(17)8-12/h3-9,19H,1-2H3
InChIKeyJMXWIGVEMDLDBM-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.80
Rot. Bonds4

About 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline

3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline (PubChem CID 107364141) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
PubChem CID107364141
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(F)c1C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(15-13(18)4-3-5-14(15)20-2)19-12-7-10(16)6-11(17)8-12/h3-9,19H,1-2H3
InChIKeyJMXWIGVEMDLDBM-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline 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

4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
2-chloro-4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]benzonitrile
CID 115658366
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107633140
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
CID 107364114
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline (CID 107364141) is 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline is COc1cccc(F)c1C(C)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The InChIKey is JMXWIGVEMDLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(15-13(18)4-3-5-14(15)20-2)19-12-7-10(16)6-11(17)8-12/h3-9,19H,1-2H3.
What are the key properties of 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline has a molecular weight of 297.73 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 107364141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).