[(1-methyl-1H-indol-2-yl)methyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 15634
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: c1ccc2c(c1)n(c(c2)CNCC1CCCO1)C
• Canonical SMILES: Cn1c(CNCC2CCCO2)cc2c1cccc2
• InChI: InChI=1S/C15H20N2O/c1-17-13(9-12-5-2-3-7-15(12)17)10-16-11-14-6-4-8-18-14/h2-3,5,7,9,14,16H,4,6,8,10-11H2,1H3
• InChIKey: PHCDCGOCZGADJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methyl-1H-indol-2-yl)methyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [(1-methylindol-2-yl)methyl](oxolan-2-ylmethyl)amine
• Synonyms: [(1-Methyl-1H-indol-2-yl)methyl](tetrahydro-furan-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD06801050
• PubChem SID: 160978941
• PubChem CID: 23004700

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8313156
• LogD (pH = 7.4): 0.661027
• Log P: 2.192623
• Molar Refractivity: 73.4214 cm^3
• Polarizability: 29.882511 Å^3
• Polar Surface Area: 26.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false