4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline

• ChemBase ID: 266520
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: c12c(cc(Cc3ccc(N)cc3)cc2)CCN1
• Canonical SMILES: Nc1ccc(cc1)Cc1ccc2c(c1)CCN2
• InChI: InChI=1S/C15H16N2/c16-14-4-1-11(2-5-14)9-12-3-6-15-13(10-12)7-8-17-15/h1-6,10,17H,7-9,16H2
• InChIKey: KXMNPYKIVCLNIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline
• IUPAC Traditional name: 4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline
• Synonyms: 4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline

Database IDs

• MDL Number: MFCD15209690
• PubChem SID: 164322430
• PubChem CID: 47002725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.633291
• LogD (pH = 7.4): 2.747213
• Log P: 2.7487805
• Molar Refractivity: 73.999 cm^3
• Polarizability: 26.879936 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.616

Product Information

• Purity: 95%