(2S)-1-{7-ethyl-1H-furo[2,3-g]indazol-1-yl}propan-2-amine

• ChemBase ID: 130224
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: n1cc2ccc3oc(cc3c2n1C[C@@H](N)C)CC
• Canonical SMILES: CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C
• InChI: InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
• InChIKey: QLOOWOVVZLBYHU-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-{7-ethyl-1H-furo[2,3-g]indazol-1-yl}propan-2-amine
• IUPAC Traditional name: (2S)-1-{7-ethylfuro[2,3-g]indazol-1-yl}propan-2-amine
• Synonyms: YM-348

Database IDs

• CAS Number: 372163-84-3
• PubChem SID: 162224504
• PubChem CID: 3045225
• Chemspider ID: 2308001
• Wikipedia Title: YM-348

CALCULATED PROPERTIES

• Log P: 1.9207821
• Molar Refractivity: 82.1725 cm^3
• Polarizability: 29.661224 Å^3
• Polar Surface Area: 56.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0927935
• LogD (pH = 7.4): -0.44531485