1-ethyl-1H-indol-5-amine

• ChemBase ID: 263441
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: n1(c2c(cc1)cc(cc2)N)CC
• Canonical SMILES: CCn1ccc2c1ccc(c2)N
• InChI: InChI=1S/C10H12N2/c1-2-12-6-5-8-7-9(11)3-4-10(8)12/h3-7H,2,11H2,1H3
• InChIKey: IUYBQQPHRWZTTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-indol-5-amine
• IUPAC Traditional name: 1-ethylindol-5-amine
• Synonyms: 1-ethyl-1H-indol-5-amine

Database IDs

• MDL Number: MFCD11213928
• PubChem SID: 164319351
• PubChem CID: 18475534

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8151821
• LogD (pH = 7.4): 1.8234593
• Log P: 1.8235658
• Molar Refractivity: 51.4902 cm^3
• Polarizability: 20.350859 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.125

Product Information

• Purity: 95%