N-ethyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine hydrochloride

• ChemBase ID: 189940
• Molecular Formular: C15H21ClN2
• Molecular Mass: 264.79364
• Monoisotopic Mass: 264.13932636
• SMILES: c12[nH]c3c(c1CCCC2NCC)cc(cc3)C.Cl
• Canonical SMILES: CCNC1CCCc2c1[nH]c1c2cc(cc1)C.Cl
• InChI: InChI=1S/C15H20N2.ClH/c1-3-16-14-6-4-5-11-12-9-10(2)7-8-13(12)17-15(11)14;/h7-9,14,16-17H,3-6H2,1-2H3;1H
• InChIKey: ZNVNISUVKBXEJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine hydrochloride
• IUPAC Traditional name: N-ethyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine hydrochloride

Database IDs

• PubChem SID: 164245850
• PubChem CID: 14197129

CALCULATED PROPERTIES

• Acid pKa: 16.767042
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.21843915
• LogD (pH = 7.4): 1.2031484
• Log P: 3.40938
• Molar Refractivity: 72.2416 cm^3
• Polarizability: 29.169157 Å^3
• Polar Surface Area: 27.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds