benzyl(dodecan-2-yl)amine

• ChemBase ID: 246441
• Molecular Formular: C19H33N
• Molecular Mass: 275.47202
• Monoisotopic Mass: 275.26130006
• SMILES: N(Cc1ccccc1)C(CCCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCCC(NCc1ccccc1)C
• InChI: InChI=1S/C19H33N/c1-3-4-5-6-7-8-9-11-14-18(2)20-17-19-15-12-10-13-16-19/h10,12-13,15-16,18,20H,3-9,11,14,17H2,1-2H3
• InChIKey: SRZHZECYLYTSQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(dodecan-2-yl)amine
• IUPAC Traditional name: benzyl(dodecan-2-yl)amine
• Synonyms: benzyl(dodecan-2-yl)amine

Database IDs

• MDL Number: MFCD23144302
• PubChem SID: 164302351
• PubChem CID: 71757995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1644201
• LogD (pH = 7.4): 3.8574467
• Log P: 6.3840494
• Molar Refractivity: 89.8054 cm^3
• Polarizability: 35.913574 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 7.109

Product Information

• Purity: 95%