N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 750883
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c1(n(ccn1)CCOC)CN(C1c2c(CCC1)cccc2)C
• Canonical SMILES: COCCn1ccnc1CN(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C18H25N3O/c1-20(14-18-19-10-11-21(18)12-13-22-2)17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,10-11,17H,5,7,9,12-14H2,1-2H3
• InChIKey: ZAUSGDQIFCHDPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.93566227
• LogD (pH = 7.4): 2.445483
• Log P: 2.7593055
• Molar Refractivity: 89.6171 cm^3
• Polarizability: 34.644943 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.75
• LOG S: -2.72
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6