2-methyl-1,2,3,4-tetrahydroisoquinolin-4-amine

• ChemBase ID: 243737
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(Cc2c(C(C1)N)cccc2)C
• Canonical SMILES: CN1CC(N)c2c(C1)cccc2
• InChI: InChI=1S/C10H14N2/c1-12-6-8-4-2-3-5-9(8)10(11)7-12/h2-5,10H,6-7,11H2,1H3
• InChIKey: PQEJOFMIRBGGRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydroisoquinolin-4-amine
• IUPAC Traditional name: 2-methyl-3,4-dihydro-1H-isoquinolin-4-amine
• Synonyms: 2-methyl-1,2,3,4-tetrahydroisoquinolin-4-amine

Database IDs

• MDL Number: MFCD20696366
• PubChem SID: 164299647
• PubChem CID: 13602218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.314847
• LogD (pH = 7.4): -1.0186378
• Log P: 0.9286531
• Molar Refractivity: 50.7753 cm^3
• Polarizability: 20.053562 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%