(2,2-dimethyl-3-phenylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 243341
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: C1(C(C1c1ccccc1)CN)(C)C.Cl
• Canonical SMILES: NCC1C(C1(C)C)c1ccccc1.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-12(2)10(8-13)11(12)9-6-4-3-5-7-9;/h3-7,10-11H,8,13H2,1-2H3;1H
• InChIKey: SDJLLVIIFVIVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethyl-3-phenylcyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (2,2-dimethyl-3-phenylcyclopropyl)methanamine hydrochloride
• Synonyms: (2,2-dimethyl-3-phenylcyclopropyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22578649
• PubChem SID: 164299251
• PubChem CID: 71757226

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8566584
• LogD (pH = 7.4): -0.32690963
• Log P: 2.1630077
• Molar Refractivity: 55.5281 cm^3
• Polarizability: 22.158627 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.015

Product Information

• Purity: 95%