6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

• ChemBase ID: 796231
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1Cc2c(CC1CN(C)C)ccc(c2)N
• Canonical SMILES: CN(CC1CCc2c(C1)ccc(c2)N)C
• InChI: InChI=1S/C13H20N2/c1-15(2)9-10-3-4-12-8-13(14)6-5-11(12)7-10/h5-6,8,10H,3-4,7,9,14H2,1-2H3
• InChIKey: LQRIWUQSMUFWPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
• Synonyms: 6-((dimethylamino)methyl)-5,6,7,8-tetrahydronaphthalen-2-amine

Database IDs

• CAS Number: 331754-31-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.308074
• LogD (pH = 7.4): -0.2428978
• Log P: 2.233615
• Molar Refractivity: 66.3677 cm^3
• Polarizability: 25.036068 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%