1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C16H17ClFNO — CID 115829672

IUPAC1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(Cl)c(C)c2)cc1F
InChIInChI=1S/C16H17ClFNO/c1-10-7-12(4-5-13(10)17)15(19)9-11-3-6-16(20-2)14(18)8-11/h3-8,15H,9,19H2,1-2H3
InChIKeyPHUXQHCASIOBLZ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115829672) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115829672
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(Cl)c(C)c2)cc1F
InChIInChI=1S/C16H17ClFNO/c1-10-7-12(4-5-13(10)17)15(19)9-11-3-6-16(20-2)14(18)8-11/h3-8,15H,9,19H2,1-2H3
InChIKeyPHUXQHCASIOBLZ-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine 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

2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829625
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115829672) is 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2ccc(Cl)c(C)c2)cc1F.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is PHUXQHCASIOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-7-12(4-5-13(10)17)15(19)9-11-3-6-16(20-2)14(18)8-11/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115829672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).