(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

• ChemBase ID: 246038
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: c12c(C(CCC1(C)C)CN)cccc2
• Canonical SMILES: NCC1CCC(c2c1cccc2)(C)C
• InChI: InChI=1S/C13H19N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-9,14H2,1-2H3
• InChIKey: LBWVCDBPNUUOKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
• IUPAC Traditional name: (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
• Synonyms: (4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

Database IDs

• MDL Number: MFCD11641547
• PubChem SID: 164301948
• PubChem CID: 43316841

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.17615272
• LogD (pH = 7.4): 0.5251672
• Log P: 2.8339787
• Molar Refractivity: 60.6217 cm^3
• Polarizability: 23.921022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.534

Product Information

• Purity: 95%