[2-(azocan-1-ylmethyl)phenyl]methanamine

• ChemBase ID: 272323
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(Cc2c(CN)cccc2)CCCCCCC1
• Canonical SMILES: NCc1ccccc1CN1CCCCCCC1
• InChI: InChI=1S/C15H24N2/c16-12-14-8-4-5-9-15(14)13-17-10-6-2-1-3-7-11-17/h4-5,8-9H,1-3,6-7,10-13,16H2
• InChIKey: AHUYSUJNCQFNES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(azocan-1-ylmethyl)phenyl]methanamine
• IUPAC Traditional name: [2-(azocan-1-ylmethyl)phenyl]methanamine
• Synonyms: [2-(azocan-1-ylmethyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD08444589
• PubChem SID: 164328233
• PubChem CID: 13948370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5115168
• LogD (pH = 7.4): -1.315372
• Log P: 2.7799144
• Molar Refractivity: 74.4181 cm^3
• Polarizability: 29.2892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.189

Product Information

• Purity: 95%