2-[4-(propan-2-yl)phenyl]cyclopropan-1-amine hydrochloride

• ChemBase ID: 278321
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: C1(CC1N)c1ccc(cc1)C(C)C.Cl
• Canonical SMILES: CC(c1ccc(cc1)C1CC1N)C.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13;/h3-6,8,11-12H,7,13H2,1-2H3;1H
• InChIKey: SIPAOEIOLBPKJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yl)phenyl]cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-isopropylphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-[4-(propan-2-yl)phenyl]cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19982536
• PubChem SID: 164334231
• PubChem CID: 54594854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41651198
• LogD (pH = 7.4): 0.40685594
• Log P: 2.5838916
• Molar Refractivity: 55.8874 cm^3
• Polarizability: 22.074375 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 2.905

Product Information

• Purity: 95%