(2-methylphenyl)methanamine

C8H11N — CID 6993

IUPAC(2-methylphenyl)methanamine
SMILESCc1ccccc1CN
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
InChIKeyCJAAPVQEZPAQNI-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.45
Rot. Bonds1

About (2-methylphenyl)methanamine

(2-methylphenyl)methanamine (PubChem CID 6993) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-methylphenyl)methanamine
PubChem CID6993
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2-methylphenyl)methanamine
SMILESCc1ccccc1CN
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
InChIKeyCJAAPVQEZPAQNI-UHFFFAOYSA-N
XLogP1.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-methylphenyl)methanamine 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 (2-methylphenyl)methanamine?
The IUPAC name of (2-methylphenyl)methanamine (CID 6993) is (2-methylphenyl)methanamine.
What is the SMILES notation for (2-methylphenyl)methanamine?
The canonical SMILES for (2-methylphenyl)methanamine is Cc1ccccc1CN.
What is the InChIKey of (2-methylphenyl)methanamine?
The InChIKey is CJAAPVQEZPAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3.
What are the key properties of (2-methylphenyl)methanamine?
(2-methylphenyl)methanamine has a molecular weight of 121.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methanamine is sourced from PubChem (CID 6993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).