4-methyl-1-phenylpentan-3-amine

• ChemBase ID: 261198
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: C(C(N)C(C)C)Cc1ccccc1
• Canonical SMILES: NC(C(C)C)CCc1ccccc1
• InChI: InChI=1S/C12H19N/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
• InChIKey: MQCYPOVFQBAQCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-phenylpentan-3-amine
• IUPAC Traditional name: 4-methyl-1-phenylpentan-3-amine
• Synonyms: 4-methyl-1-phenylpentan-3-amine

Database IDs

• MDL Number: MFCD11655518
• PubChem SID: 164317108
• PubChem CID: 229354

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1097713
• LogD (pH = 7.4): 0.44763136
• Log P: 3.1363144
• Molar Refractivity: 57.3018 cm^3
• Polarizability: 22.90641 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.049

Product Information

• Purity: 95%