butyl(1-phenylpropyl)amine

• ChemBase ID: 275046
• Molecular Formular: C13H21N
• Molecular Mass: 191.31254
• Monoisotopic Mass: 191.16739968
• SMILES: c1(C(NCCCC)CC)ccccc1
• Canonical SMILES: CCCCNC(c1ccccc1)CC
• InChI: InChI=1S/C13H21N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h6-10,13-14H,3-5,11H2,1-2H3
• InChIKey: BQNBGUDSGSWTRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(1-phenylpropyl)amine
• IUPAC Traditional name: butyl(1-phenylpropyl)amine
• Synonyms: butyl(1-phenylpropyl)amine

Database IDs

• MDL Number: MFCD11142467
• PubChem SID: 164330956
• PubChem CID: 409957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5684362
• LogD (pH = 7.4): 1.1492493
• Log P: 3.7945912
• Molar Refractivity: 62.1224 cm^3
• Polarizability: 24.83122 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.935

Product Information

• Purity: 95%