N-methyl-2-phenylcyclopropan-1-amine hydrochloride

• ChemBase ID: 240673
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(CC1NC)c1ccccc1.Cl
• Canonical SMILES: CNC1CC1c1ccccc1.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-11-10-7-9(10)8-5-3-2-4-6-8;/h2-6,9-11H,7H2,1H3;1H
• InChIKey: IMUOMBQOBYEIIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: N-methyl-2-phenylcyclopropan-1-amine hydrochloride
• Synonyms: N-methyl-2-phenylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22392193
• PubChem SID: 164296583
• PubChem CID: 23504922

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4311665
• LogD (pH = 7.4): -0.5406459
• Log P: 1.7714629
• Molar Refractivity: 46.4712 cm^3
• Polarizability: 18.46406 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.624

Product Information

• Purity: 95%