2,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 242611
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(c2c(CCC1(C)C)cccc2)N
• Canonical SMILES: NC1c2ccccc2CCC1(C)C
• InChI: InChI=1S/C12H17N/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,11H,7-8,13H2,1-2H3
• InChIKey: BXNUTDVMNFQGLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
• Synonyms: 2,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

Database IDs

• MDL Number: MFCD20702491
• PubChem SID: 164298521
• PubChem CID: 19794111

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.15987697
• LogD (pH = 7.4): 0.7565932
• Log P: 2.8307807
• Molar Refractivity: 55.5829 cm^3
• Polarizability: 22.154917 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.105

Product Information

• Purity: 95%