3-amino-2-methyl-1,1-diphenylpropan-1-ol

• ChemBase ID: 125272
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: OC(c1ccccc1)(c1ccccc1)C(C)CN
• Canonical SMILES: NCC(C(c1ccccc1)(c1ccccc1)O)C
• InChI: InChI=1S/C16H19NO/c1-13(12-17)16(18,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,18H,12,17H2,1H3
• InChIKey: XGYCHIPEPHYUIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2-methyl-1,1-diphenylpropan-1-ol
• IUPAC Traditional name: 2-mdp
• Synonyms: 2-MDP

Database IDs

• CAS Number: 33887-05-7
• PubChem SID: 162219622
• PubChem CID: 26538
• Chemspider ID: 24719
• Wikipedia Title: 2-MDP

CALCULATED PROPERTIES

• Acid pKa: 13.193186
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.4852171
• LogD (pH = 7.4): 0.31252065
• Log P: 2.517485
• Molar Refractivity: 74.4789 cm^3
• Polarizability: 29.48124 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Legal