[1-(aminomethyl)cyclopropyl](phenyl)methanol

• ChemBase ID: 242064
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(CC1)(C(c1ccccc1)O)CN
• Canonical SMILES: NCC1(CC1)C(c1ccccc1)O
• InChI: InChI=1S/C11H15NO/c12-8-11(6-7-11)10(13)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2
• InChIKey: BQVTURXDLVTTFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(aminomethyl)cyclopropyl](phenyl)methanol
• IUPAC Traditional name: [1-(aminomethyl)cyclopropyl](phenyl)methanol
• Synonyms: [1-(aminomethyl)cyclopropyl](phenyl)methanol

Database IDs

• MDL Number: MFCD22565977
• PubChem SID: 164297974
• PubChem CID: 71756940

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9372452
• LogD (pH = 7.4): -0.89976996
• Log P: 1.0365883
• Molar Refractivity: 52.3164 cm^3
• Polarizability: 20.960892 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.978838

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.065

Product Information

• Purity: 95%