{2-[(dipropylamino)methyl]phenyl}methanamine

• ChemBase ID: 279585
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: c1(CN(CCC)CCC)c(CN)cccc1
• Canonical SMILES: CCCN(Cc1ccccc1CN)CCC
• InChI: InChI=1S/C14H24N2/c1-3-9-16(10-4-2)12-14-8-6-5-7-13(14)11-15/h5-8H,3-4,9-12,15H2,1-2H3
• InChIKey: ZXFWHBYCFOFUOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(dipropylamino)methyl]phenyl}methanamine
• IUPAC Traditional name: {2-[(dipropylamino)methyl]phenyl}methanamine
• Synonyms: N-[2-(aminomethyl)benzyl]-N,N-dipropylamine

Database IDs

• MDL Number: MFCD08444586
• PubChem SID: 164335495
• PubChem CID: 16228066

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6058443
• LogD (pH = 7.4): -1.5708888
• Log P: 2.7990718
• Molar Refractivity: 71.6193 cm^3
• Polarizability: 28.186827 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.994

Product Information

• Purity: 95%