1-(2-phenylcyclopropyl)ethan-1-amine

• ChemBase ID: 262575
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(C(C1)C(N)C)c1ccccc1
• Canonical SMILES: CC(C1CC1c1ccccc1)N
• InChI: InChI=1S/C11H15N/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3
• InChIKey: VDXNKYRHOGJFPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylcyclopropyl)ethan-1-amine
• IUPAC Traditional name: 1-(2-phenylcyclopropyl)ethanamine
• Synonyms: 1-(2-phenylcyclopropyl)ethan-1-amine

Database IDs

• MDL Number: MFCD11203869
• PubChem SID: 164318485
• PubChem CID: 12040788

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0330079
• LogD (pH = 7.4): -0.66054404
• Log P: 1.9925165
• Molar Refractivity: 50.9232 cm^3
• Polarizability: 20.311958 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.026

Product Information

• Purity: 95%