(2-aminoethyl)(methyl)(2-phenylethyl)amine

• ChemBase ID: 307365
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: N(CCc1ccccc1)(CCN)C
• Canonical SMILES: NCCN(CCc1ccccc1)C
• InChI: InChI=1S/C11H18N2/c1-13(10-8-12)9-7-11-5-3-2-4-6-11/h2-6H,7-10,12H2,1H3
• InChIKey: QNEUMPZMEXPLOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(methyl)(2-phenylethyl)amine
• IUPAC Traditional name: (2-aminoethyl)(methyl)(2-phenylethyl)amine
• Synonyms: N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

Database IDs

• CAS Number: 1629-33-0
• MDL Number: MFCD09864331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0582504
• LogD (pH = 7.4): -0.82812005
• Log P: 1.40632
• Molar Refractivity: 57.3055 cm^3
• Polarizability: 22.572285 Å^3
• Polar Surface Area: 29.26 Å^2