N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

• ChemBase ID: 310717
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: c12[nH]c3c(c1CCCC2NCC(OC)OC)cc(cc3)C
• Canonical SMILES: COC(CNC1CCCc2c1[nH]c1c2cc(cc1)C)OC
• InChI: InChI=1S/C17H24N2O2/c1-11-7-8-14-13(9-11)12-5-4-6-15(17(12)19-14)18-10-16(20-2)21-3/h7-9,15-16,18-19H,4-6,10H2,1-3H3
• InChIKey: GSXRCCZMEJMMRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
• IUPAC Traditional name: N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
• Synonyms: N-(2,2-dimethoxyethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

Database IDs

• CAS Number: 121593-91-7
• MDL Number: MFCD00584106

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6179297
• LogD (pH = 7.4): 2.3351367
• Log P: 3.2844992
• Molar Refractivity: 84.3176 cm^3
• Polarizability: 34.150238 Å^3
• Polar Surface Area: 46.28 Å^2