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

C9H13N — CID 7015759

IUPAC(1S)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)N)cc1
InChIInChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1
InChIKeyUZDDXUMOXKDXNE-QMMMGPOBSA-N
MW135.21 g/mol
LogP2.01
Rot. Bonds1

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

(1S)-1-(4-methylphenyl)ethanamine (PubChem CID 7015759) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)ethanamine
PubChem CID7015759
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1S)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)N)cc1
InChIInChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1
InChIKeyUZDDXUMOXKDXNE-QMMMGPOBSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(4-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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)ethanamine (CID 7015759) is (1S)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)ethanamine?
The InChIKey is UZDDXUMOXKDXNE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)ethanamine?
(1S)-1-(4-methylphenyl)ethanamine has a molecular weight of 135.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 7015759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).