N-methyl-2-[(pyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 799842
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: N(C1(CCc2c(cccc2)C1)CN1CCCC1)C
• Canonical SMILES: CNC1(CCc2c(C1)cccc2)CN1CCCC1
• InChI: InChI=1S/C16H24N2/c1-17-16(13-18-10-4-5-11-18)9-8-14-6-2-3-7-15(14)12-16/h2-3,6-7,17H,4-5,8-13H2,1H3
• InChIKey: UBDASNATHZNUNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[(pyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-methyl-2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
• Synonyms: Methyl-(2-pyrrolidin-1-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5160391
• LogD (pH = 7.4): -0.24907687
• Log P: 2.7126908
• Molar Refractivity: 77.0915 cm^3
• Polarizability: 30.237501 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%