[1-(2-methylphenyl)cyclohexyl]methanamine

• ChemBase ID: 267309
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: c1(C2(CN)CCCCC2)c(C)cccc1
• Canonical SMILES: NCC1(CCCCC1)c1ccccc1C
• InChI: InChI=1S/C14H21N/c1-12-7-3-4-8-13(12)14(11-15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-11,15H2,1H3
• InChIKey: SUVBDFFIBRDKFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylphenyl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(2-methylphenyl)cyclohexyl]methanamine
• Synonyms: [1-(2-methylphenyl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD11188923
• PubChem SID: 164323219
• PubChem CID: 28937830

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.52672094
• LogD (pH = 7.4): 1.4704329
• Log P: 3.5140507
• Molar Refractivity: 65.1981 cm^3
• Polarizability: 25.769747 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.993

Product Information

• Purity: 95%