1-methyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 270152
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(c2c(CC1)cccc2)(N)C
• Canonical SMILES: CC1(N)CCc2c1cccc2
• InChI: InChI=1S/C10H13N/c1-10(11)7-6-8-4-2-3-5-9(8)10/h2-5H,6-7,11H2,1H3
• InChIKey: MIYREUVTAYSNII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 1-methyl-2,3-dihydroinden-1-amine
• Synonyms: 1-methyl-2,3-dihydro-1H-inden-1-amine

Database IDs

• MDL Number: MFCD12067764
• PubChem SID: 164326062
• PubChem CID: 21806132

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.094454
• LogD (pH = 7.4): -0.5346113
• Log P: 1.9238151
• Molar Refractivity: 46.7504 cm^3
• Polarizability: 18.460375 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.027

Product Information

• Purity: 95%