7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 245060
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(ccc(c1)C)CCCC2N
• Canonical SMILES: Cc1ccc2c(c1)C(N)CCC2
• InChI: InChI=1S/C11H15N/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7,11H,2-4,12H2,1H3
• InChIKey: BYRCTECSUWUSJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine; 7-METHYL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

Database IDs

• MDL Number: MFCD07373972
• PubChem SID: 164300970
• PubChem CID: 21358957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4088869
• LogD (pH = 7.4): 0.2926668
• Log P: 2.6012285
• Molar Refractivity: 51.7544 cm^3
• Polarizability: 20.225943 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.566

Product Information

• Purity: 95%; 98%