1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine

C15H16FN — CID 54911563

IUPAC1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
SMILESCc1ccc(F)cc1-c1cccc(C(C)N)c1
InChIInChI=1S/C15H16FN/c1-10-6-7-14(16)9-15(10)13-5-3-4-12(8-13)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyJXPPUSRFDXOLDG-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.82
Rot. Bonds2

About 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine

1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine (PubChem CID 54911563) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
PubChem CID54911563
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
SMILESCc1ccc(F)cc1-c1cccc(C(C)N)c1
InChIInChI=1S/C15H16FN/c1-10-6-7-14(16)9-15(10)13-5-3-4-12(8-13)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyJXPPUSRFDXOLDG-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-(5-fluoro-2-methylphenyl)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

1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
CID 113319516
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 54910225
4-methyl-3-(3-propan-2-ylphenyl)aniline
CID 175665580
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
[4-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 61026392
4-[5-(1-aminoethyl)-2-methylphenyl]phenol
CID 115036232
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine (CID 54911563) is 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine is Cc1ccc(F)cc1-c1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
The InChIKey is JXPPUSRFDXOLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-6-7-14(16)9-15(10)13-5-3-4-12(8-13)11(2)17/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine?
1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine has a molecular weight of 229.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 54911563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).