2-(aminomethyl)-N,N-dipropylaniline

• ChemBase ID: 49109
• Molecular Formular: C13H22N2
• Molecular Mass: 206.32718
• Monoisotopic Mass: 206.17829871
• SMILES: c1(c(CN)cccc1)N(CCC)CCC
• Canonical SMILES: CCCN(c1ccccc1CN)CCC
• InChI: InChI=1S/C13H22N2/c1-3-9-15(10-4-2)13-8-6-5-7-12(13)11-14/h5-8H,3-4,9-11,14H2,1-2H3
• InChIKey: GDBFJUXFXKOKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N-dipropylaniline
• IUPAC Traditional name: 2-(aminomethyl)-N,N-dipropylaniline
• Synonyms: 2-(Aminomethyl)-N,N-dipropylaniline

Database IDs

• MDL Number: MFCD11155591
• PubChem SID: 162053872
• PubChem CID: 28600836

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.008570016
• LogD (pH = 7.4): 1.3009504
• Log P: 2.9657187
• Molar Refractivity: 67.5052 cm^3
• Polarizability: 25.936235 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false