9-(2-methoxyethyl)-9H-carbazol-3-amine

• ChemBase ID: 117671
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)N)CCOC
• Canonical SMILES: COCCn1c2ccc(cc2c2c1cccc2)N
• InChI: InChI=1S/C15H16N2O/c1-18-9-8-17-14-5-3-2-4-12(14)13-10-11(16)6-7-15(13)17/h2-7,10H,8-9,16H2,1H3
• InChIKey: WOBCKWMVTAOFTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2-methoxyethyl)-9H-carbazol-3-amine
• IUPAC Traditional name: 9-(2-methoxyethyl)carbazol-3-amine
• Synonyms: 9-(2-methoxyethyl)-9H-carbazol-3-amine

Database IDs

• MDL Number: MFCD16653256
• PubChem SID: 162089889
• PubChem CID: 45496659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4351773
• LogD (pH = 7.4): 2.4386163
• Log P: 2.4386604
• Molar Refractivity: 74.1128 cm^3
• Polarizability: 30.432583 Å^3
• Polar Surface Area: 40.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.38

Product Information

• Purity: 95+%