2-amino-N-[2-(dimethylamino)ethyl]benzamide

• ChemBase ID: 123009
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(C(=O)NCCN(C)C)c(N)cccc1
• Canonical SMILES: CN(CCNC(=O)c1ccccc1N)C
• InChI: InChI=1S/C11H17N3O/c1-14(2)8-7-13-11(15)9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3,(H,13,15)
• InChIKey: OFPZJFGQJWXHGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(dimethylamino)ethyl]benzamide
• IUPAC Traditional name: 2-amino-N-[2-(dimethylamino)ethyl]benzamide
• Synonyms: 2-amino-N-(2-(dimethylamino)ethyl)benzamide

Database IDs

• PubChem SID: 162217362
• PubChem CID: 4040221

CALCULATED PROPERTIES

• Acid pKa: 15.395452
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0015824
• LogD (pH = 7.4): -0.25193506
• Log P: 0.88728076
• Molar Refractivity: 62.7526 cm^3
• Polarizability: 23.192007 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true