4-(aminomethyl)-N-cyclohexyl-N-methylaniline

• ChemBase ID: 264912
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N(c1ccc(cc1)CN)(C1CCCCC1)C
• Canonical SMILES: NCc1ccc(cc1)N(C1CCCCC1)C
• InChI: InChI=1S/C14H22N2/c1-16(13-5-3-2-4-6-13)14-9-7-12(11-15)8-10-14/h7-10,13H,2-6,11,15H2,1H3
• InChIKey: AYVQVJAAHBBROI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N-cyclohexyl-N-methylaniline
• IUPAC Traditional name: 4-(aminomethyl)-N-cyclohexyl-N-methylaniline
• Synonyms: 4-(aminomethyl)-N-cyclohexyl-N-methylaniline

Database IDs

• MDL Number: MFCD07365255
• PubChem SID: 164320822
• PubChem CID: 28409689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.17573272
• LogD (pH = 7.4): 0.8393648
• Log P: 3.0063286
• Molar Refractivity: 69.9742 cm^3
• Polarizability: 27.04036 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.29

Product Information

• Purity: 95%