4-(aminomethyl)-N,N-dimethylquinolin-2-amine

• ChemBase ID: 285039
• Molecular Formular: C12H15N3
• Molecular Mass: 201.2676
• Monoisotopic Mass: 201.1265975
• SMILES: n1c(cc(c2c1cccc2)CN)N(C)C
• Canonical SMILES: NCc1cc(nc2c1cccc2)N(C)C
• InChI: InChI=1S/C12H15N3/c1-15(2)12-7-9(8-13)10-5-3-4-6-11(10)14-12/h3-7H,8,13H2,1-2H3
• InChIKey: DITYDNHMDFIHEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethylquinolin-2-amine
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethylquinolin-2-amine
• Synonyms: 4-(aminomethyl)-N,N-dimethylquinolin-2-amine

Database IDs

• MDL Number: MFCD16703574
• PubChem SID: 180670570
• PubChem CID: 56828443

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0485395
• LogD (pH = 7.4): -0.1737507
• Log P: 1.9591703
• Molar Refractivity: 63.1948 cm^3
• Polarizability: 25.206818 Å^3
• Polar Surface Area: 42.15 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%