cyclopropyl[4-(2-methylpropyl)phenyl]methanamine

• ChemBase ID: 267591
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: C1(CC1)C(c1ccc(cc1)CC(C)C)N
• Canonical SMILES: CC(Cc1ccc(cc1)C(C1CC1)N)C
• InChI: InChI=1S/C14H21N/c1-10(2)9-11-3-5-12(6-4-11)14(15)13-7-8-13/h3-6,10,13-14H,7-9,15H2,1-2H3
• InChIKey: IVMVLJNXWHRWCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl[4-(2-methylpropyl)phenyl]methanamine
• IUPAC Traditional name: cyclopropyl[4-(2-methylpropyl)phenyl]methanamine
• Synonyms: cyclopropyl[4-(2-methylpropyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD05191988
• PubChem SID: 164323501
• PubChem CID: 4579734

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.61692613
• LogD (pH = 7.4): 1.2896819
• Log P: 3.6289365
• Molar Refractivity: 64.9354 cm^3
• Polarizability: 25.848614 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.803

Product Information

• Purity: 95%