4-(2,3-dihydro-1H-indol-1-ylmethyl)aniline

• ChemBase ID: 266204
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: N1(c2c(CC1)cccc2)Cc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)CN1CCc2c1cccc2
• InChI: InChI=1S/C15H16N2/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11,16H2
• InChIKey: YRCYUXVUZBJHOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1H-indol-1-ylmethyl)aniline
• IUPAC Traditional name: 4-(2,3-dihydroindol-1-ylmethyl)aniline
• Synonyms: 4-(2,3-dihydro-1H-indol-1-ylmethyl)aniline

Database IDs

• MDL Number: MFCD09731491
• PubChem SID: 164322114
• PubChem CID: 16784749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9814916
• LogD (pH = 7.4): 3.0162647
• Log P: 3.0167253
• Molar Refractivity: 73.1092 cm^3
• Polarizability: 26.960157 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.103

Product Information

• Purity: 95%