1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine

C15H16FNO — CID 82812526

IUPAC1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
SMILESCOc1cccc(-c2cccc(C(C)N)c2)c1F
InChIInChI=1S/C15H16FNO/c1-10(17)11-5-3-6-12(9-11)13-7-4-8-14(18-2)15(13)16/h3-10H,17H2,1-2H3
InChIKeyAVXUUIPKBCNAEN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.52
Rot. Bonds3

About 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine

1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine (PubChem CID 82812526) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
PubChem CID82812526
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
SMILESCOc1cccc(-c2cccc(C(C)N)c2)c1F
InChIInChI=1S/C15H16FNO/c1-10(17)11-5-3-6-12(9-11)13-7-4-8-14(18-2)15(13)16/h3-10H,17H2,1-2H3
InChIKeyAVXUUIPKBCNAEN-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]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-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
CID 176514362
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911563
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
CID 113319516
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 54910225

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine (CID 82812526) is 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine is COc1cccc(-c2cccc(C(C)N)c2)c1F.
What is the InChIKey of 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine?
The InChIKey is AVXUUIPKBCNAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10(17)11-5-3-6-12(9-11)13-7-4-8-14(18-2)15(13)16/h3-10H,17H2,1-2H3.
What are the key properties of 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine?
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 82812526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).