1-butyl-2,3-dihydro-1H-indol-6-amine

• ChemBase ID: 238482
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c12N(CCc2ccc(c1)N)CCCC
• Canonical SMILES: CCCCN1CCc2c1cc(N)cc2
• InChI: InChI=1S/C12H18N2/c1-2-3-7-14-8-6-10-4-5-11(13)9-12(10)14/h4-5,9H,2-3,6-8,13H2,1H3
• InChIKey: KXVGOCNJGSJIGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 1-butyl-2,3-dihydroindol-6-amine
• Synonyms: 1-butyl-2,3-dihydro-1H-indol-6-amine

Database IDs

• MDL Number: MFCD11137695
• PubChem SID: 164294392
• PubChem CID: 28419033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.361481
• LogD (pH = 7.4): 2.6118007
• Log P: 2.6161513
• Molar Refractivity: 62.3702 cm^3
• Polarizability: 22.868477 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.922

Product Information

• Purity: 95%