(2-aminopropyl)(benzyl)methylamine

• ChemBase ID: 247058
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: N(Cc1ccccc1)(CC(N)C)C
• Canonical SMILES: CC(CN(Cc1ccccc1)C)N
• InChI: InChI=1S/C11H18N2/c1-10(12)8-13(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9,12H2,1-2H3
• InChIKey: AVTMHOATGUADSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopropyl)(benzyl)methylamine
• IUPAC Traditional name: (2-aminopropyl)(benzyl)methylamine
• Synonyms: (2-aminopropyl)(benzyl)methylamine

Database IDs

• MDL Number: MFCD09811096
• PubChem SID: 164302968
• PubChem CID: 20121436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9988983
• LogD (pH = 7.4): -0.8605372
• Log P: 1.5342338
• Molar Refractivity: 56.9693 cm^3
• Polarizability: 22.650854 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.842

Product Information

• Purity: 95%