1-{7-methoxy-1H,3aH,4H,8bH-indeno[1,2-b]pyrrol-1-yl}propan-2-amine

• ChemBase ID: 129292
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: C1=CN(CC(C)N)C2C1Cc1c2cc(OC)cc1
• Canonical SMILES: COc1ccc2c(c1)C1N(C=CC1C2)CC(N)C
• InChI: InChI=1S/C15H20N2O/c1-10(16)9-17-6-5-12-7-11-3-4-13(18-2)8-14(11)15(12)17/h3-6,8,10,12,15H,7,9,16H2,1-2H3
• InChIKey: ONGPQVQZGGXAHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{7-methoxy-1H,3aH,4H,8bH-indeno[1,2-b]pyrrol-1-yl}propan-2-amine
• IUPAC Traditional name: 1-{7-methoxy-3aH,4H,8bH-indeno[1,2-b]pyrrol-1-yl}propan-2-amine
• Synonyms: Ro60-0213

Database IDs

• PubChem SID: 162223586
• PubChem CID: 71308264
• Wikipedia Title: Ro60-0213

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6419253
• LogD (pH = 7.4): -0.5318317
• Log P: 1.8242058
• Molar Refractivity: 73.8464 cm^3
• Polarizability: 28.469418 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true