3-[(diphenylmethyl)amino]propan-1-ol

• ChemBase ID: 269634
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: C(c1ccccc1)(c1ccccc1)NCCCO
• Canonical SMILES: OCCCNC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H19NO/c18-13-7-12-17-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
• InChIKey: ABWLGEWGKOXLRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(diphenylmethyl)amino]propan-1-ol
• IUPAC Traditional name: 3-[(diphenylmethyl)amino]propan-1-ol
• Synonyms: 3-[(diphenylmethyl)amino]propan-1-ol

Database IDs

• MDL Number: MFCD11163062
• PubChem SID: 164325544
• PubChem CID: 12969147

CALCULATED PROPERTIES

• Acid pKa: 15.933794
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.31357914
• LogD (pH = 7.4): 1.2111639
• Log P: 2.6856925
• Molar Refractivity: 74.7465 cm^3
• Polarizability: 29.486004 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 2.595

Product Information

• Purity: 95%