(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine

C10H14FN — CID 129393015

IUPAC(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C[C@H](F)CN)cc1
InChIInChI=1S/C10H14FN/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10H,6-7,12H2,1H3/t10-/m0/s1
InChIKeyJNCQMCACYZJJHO-JTQLQIEISA-N
MW167.23 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine

(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine (PubChem CID 129393015) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine
PubChem CID129393015
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C[C@H](F)CN)cc1
InChIInChI=1S/C10H14FN/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10H,6-7,12H2,1H3/t10-/m0/s1
InChIKeyJNCQMCACYZJJHO-JTQLQIEISA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine 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-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
methyl 2-(aminomethyl)-3-(4-methylphenyl)propanoate
CID 43148192
2-(aminomethyl)-3-(4-methylphenyl)propanal
CID 135220119
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine (CID 129393015) is (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine is Cc1ccc(C[C@H](F)CN)cc1.
What is the InChIKey of (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine?
The InChIKey is JNCQMCACYZJJHO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FN/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10H,6-7,12H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine?
(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 129393015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).