(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-amine

• ChemBase ID: 263809
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c1c(ccc2c1CCCC2)[C@H](N)C
• Canonical SMILES: C[C@H](c1ccc2c(c1)CCCC2)N
• InChI: InChI=1S/C12H17N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5,13H2,1H3/t9-/m1/s1
• InChIKey: YJZYMMDEDLLIIP-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
• Synonyms: (1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD06762239
• PubChem SID: 164319719
• PubChem CID: 7129105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.04217634
• LogD (pH = 7.4): 0.6607775
• Log P: 2.9678435
• Molar Refractivity: 56.4324 cm^3
• Polarizability: 22.071978 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.975

Product Information

• Purity: 95%