[cyclopropyl(phenyl)methyl](methyl)amine

• ChemBase ID: 277672
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1)C(c1ccccc1)NC
• Canonical SMILES: CNC(c1ccccc1)C1CC1
• InChI: InChI=1S/C11H15N/c1-12-11(10-7-8-10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
• InChIKey: JDUBUKLTCBRTES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [cyclopropyl(phenyl)methyl](methyl)amine
• IUPAC Traditional name: [cyclopropyl(phenyl)methyl](methyl)amine
• Synonyms: [cyclopropyl(phenyl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12182045
• PubChem SID: 164333582
• PubChem CID: 10953823

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.84464586
• LogD (pH = 7.4): -0.108276606
• Log P: 2.371939
• Molar Refractivity: 50.9182 cm^3
• Polarizability: 20.390606 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.263

Product Information

• Purity: 95%