methyl[3-(3-methyl-1-phenyl-2,3-dihydro-1H-indol-3-yl)propyl]amine

• ChemBase ID: 126857
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: c1cccc2c1C(C)(CN2c1ccccc1)CCCNC
• Canonical SMILES: CNCCCC1(C)CN(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3
• InChIKey: YFAIJBZEDDOCAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(3-methyl-1-phenyl-2,3-dihydro-1H-indol-3-yl)propyl]amine
• IUPAC Traditional name: daledalin
• Synonyms: Daledalin

Database IDs

• CAS Number: 22136-27-2
• PubChem SID: 162221184
• PubChem CID: 31707
• Chemspider ID: 29403
• Unique Ingredient Identifier: IT56261A5A
• Wikipedia Title: Daledalin

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.308749
• Log P: 4.197867
• Molar Refractivity: 89.183 cm^3
• Polarizability: 34.750187 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96262157