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

• ChemBase ID: 719296
• Molecular Formular: C18H23N3
• Molecular Mass: 281.39532
• Monoisotopic Mass: 281.18919775
• SMILES: N(C1c2c(CCC1)cccc2)(Cc1nc(ncc1)CC)C
• Canonical SMILES: CCc1nccc(n1)CN(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C18H23N3/c1-3-18-19-12-11-15(20-18)13-21(2)17-10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,11-12,17H,3,6,8,10,13H2,1-2H3
• InChIKey: GUGWNLSYXWTLBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-[(2-ethyl-4-pyrimidinyl)methyl]-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9257702
• LogD (pH = 7.4): 3.580347
• Log P: 3.953701
• Molar Refractivity: 86.7885 cm^3
• Polarizability: 33.535362 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -2.87
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 4