(1S)-1-(4-fluoro-3-methylphenyl)ethanamine

C9H12FN — CID 45072346

IUPAC(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCc1cc([C@H](C)N)ccc1F
InChIInChI=1S/C9H12FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKeyJBEYNOQDGHMKQW-ZETCQYMHSA-N
MW153.20 g/mol
LogP2.15
Rot. Bonds1

About (1S)-1-(4-fluoro-3-methylphenyl)ethanamine

(1S)-1-(4-fluoro-3-methylphenyl)ethanamine (PubChem CID 45072346) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (1S)-1-(4-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
PubChem CID45072346
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCc1cc([C@H](C)N)ccc1F
InChIInChI=1S/C9H12FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKeyJBEYNOQDGHMKQW-ZETCQYMHSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(4-fluoro-3-methylphenyl)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

(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
CID 63716843
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-fluoro-3-methylphenyl)ethanamine (CID 45072346) is (1S)-1-(4-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-fluoro-3-methylphenyl)ethanamine is Cc1cc([C@H](C)N)ccc1F.
What is the InChIKey of (1S)-1-(4-fluoro-3-methylphenyl)ethanamine?
The InChIKey is JBEYNOQDGHMKQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-fluoro-3-methylphenyl)ethanamine?
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine has a molecular weight of 153.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 45072346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).