2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 278957
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C1(Cc2c(C1)cccc2)(N(C)C)CN
• Canonical SMILES: NCC1(Cc2c(C1)cccc2)N(C)C
• InChI: InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3
• InChIKey: HMOHYBNTVUOZSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 2-(aminomethyl)-N,N-dimethyl-1,3-dihydroinden-2-amine
• Synonyms: 2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

Database IDs

• MDL Number: MFCD12067386
• PubChem SID: 164334867
• PubChem CID: 43809056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.098785
• LogD (pH = 7.4): -0.7723974
• Log P: 1.4297442
• Molar Refractivity: 60.1749 cm^3
• Polarizability: 23.591188 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.649

Product Information

• Purity: 95%