methyl[(4-methylphenyl)methyl]amine hydrochloride

• ChemBase ID: 263088
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: N(Cc1ccc(cc1)C)C.Cl
• Canonical SMILES: CNCc1ccc(cc1)C.Cl
• InChI: InChI=1S/C9H13N.ClH/c1-8-3-5-9(6-4-8)7-10-2;/h3-6,10H,7H2,1-2H3;1H
• InChIKey: NNFFHHFMQLXZFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methylphenyl)methyl]amine hydrochloride
• IUPAC Traditional name: P-methylbenzyl-methylamine hydrochloride
• Synonyms: methyl[(4-methylphenyl)methyl]amine hydrochloride

Database IDs

• MDL Number: MFCD07106758
• PubChem SID: 164318998
• PubChem CID: 17290659

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1557329
• LogD (pH = 7.4): -0.24840693
• Log P: 2.045016
• Molar Refractivity: 44.3472 cm^3
• Polarizability: 17.361528 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.009

Product Information

• Purity: 95%