ethyl({[4-(propan-2-yl)phenyl]methyl})amine

• ChemBase ID: 312302
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(ccc(cc1)CNCC)C(C)C
• Canonical SMILES: CCNCc1ccc(cc1)C(C)C
• InChI: InChI=1S/C12H19N/c1-4-13-9-11-5-7-12(8-6-11)10(2)3/h5-8,10,13H,4,9H2,1-3H3
• InChIKey: IMAULWNZPIFDCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({[4-(propan-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: ethyl[(4-isopropylphenyl)methyl]amine
• Synonyms: N-(4-isopropylbenzyl)ethanamine

Database IDs

• CAS Number: 889949-99-9
• MDL Number: MFCD07411183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.072783604
• LogD (pH = 7.4): 0.7837182
• Log P: 3.1334116
• Molar Refractivity: 58.2454 cm^3
• Polarizability: 22.9006 Å^3
• Polar Surface Area: 12.03 Å^2