cyclopropyl(phenyl)methanamine

• ChemBase ID: 254712
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)C(c1ccccc1)N
• Canonical SMILES: NC(c1ccccc1)C1CC1
• InChI: InChI=1S/C10H13N/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
• InChIKey: UCRSQPUGEDLYSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(phenyl)methanamine
• IUPAC Traditional name: cyclopropyl(phenyl)methanamine
• Synonyms: 1-cyclopropyl-1-phenylmethanamine

Database IDs

• MDL Number: MFCD05191945
• PubChem SID: 164310622
• PubChem CID: 3281515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0713054
• LogD (pH = 7.4): -0.37788
• Log P: 1.9393586
• Molar Refractivity: 46.1436 cm^3
• Polarizability: 18.5436 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.847

Product Information

• Purity: 95%