1-(4-chlorophenyl)-2-methylpropan-1-amine

• ChemBase ID: 252976
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C(c1ccc(cc1)Cl)(N)C(C)C
• Canonical SMILES: NC(c1ccc(cc1)Cl)C(C)C
• InChI: InChI=1S/C10H14ClN/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
• InChIKey: KAIHEXRERGCTPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-2-methylpropan-1-amine
• IUPAC Traditional name: 1-(4-chlorophenyl)-2-methylpropan-1-amine
• Synonyms: 1-(4-chlorophenyl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD08691269
• PubChem SID: 164308886
• PubChem CID: 12559037

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.0013103508
• LogD (pH = 7.4): 0.7241032
• Log P: 3.0071292
• Molar Refractivity: 52.7506 cm^3
• Polarizability: 21.083399 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.044

Product Information

• Purity: 95%