4-[ethyl(5-phenylpentyl)amino]butan-1-ol

• ChemBase ID: 515634
• Molecular Formular: C17H29NO
• Molecular Mass: 263.41826
• Monoisotopic Mass: 263.22491455
• SMILES: N(CC)(CCCCCc1ccccc1)CCCCO
• Canonical SMILES: OCCCCN(CCCCCc1ccccc1)CC
• InChI: InChI=1S/C17H29NO/c1-2-18(15-9-10-16-19)14-8-4-7-13-17-11-5-3-6-12-17/h3,5-6,11-12,19H,2,4,7-10,13-16H2,1H3
• InChIKey: GZZPPOVMWQIYDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[ethyl(5-phenylpentyl)amino]butan-1-ol
• IUPAC Traditional name: 4-[ethyl(5-phenylpentyl)amino]butan-1-ol
• Synonyms: 4-[ethyl(5-phenylpentyl)amino]-1-butanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.972566
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3038794
• LogD (pH = 7.4): 1.0241008
• Log P: 3.781038
• Molar Refractivity: 83.7096 cm^3
• Polarizability: 32.703907 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.68
• LOG S: -3.28
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 10