3-(3-methylphenyl)propan-1-amine

• ChemBase ID: 144002
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: Cc1cccc(c1)CCCN
• Canonical SMILES: NCCCc1cccc(c1)C
• InChI: InChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,3,6-7,11H2,1H3
• InChIKey: RPZPBNSHVQMWNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methylphenyl)propan-1-amine
• IUPAC Traditional name: 3-(3-methylphenyl)propan-1-amine
• Synonyms: 3-(3-methylphenyl)-1-propanamine; 3-(3-Methylphenyl)-1-propanamine

Database IDs

• CAS Number: 104774-85-8
• MDL Number: MFCD07374074
• PubChem SID: 162238219
• PubChem CID: 12666388

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.674324
• LogD (pH = 7.4): -0.15186685
• Log P: 2.3456655
• Molar Refractivity: 48.9286 cm^3
• Polarizability: 19.130154 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H15N

DETAILS

Sigma Aldrich - CBR00042

Other Notes
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Legal Information
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