(1R)-7-(propan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 243134
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: c12cc(OC(C)C)ccc1CCC[C@H]2N.Cl
• Canonical SMILES: CC(Oc1ccc2c(c1)[C@H](N)CCC2)C.Cl
• InChI: InChI=1S/C13H19NO.ClH/c1-9(2)15-11-7-6-10-4-3-5-13(14)12(10)8-11;/h6-9,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
• InChIKey: BCDVCRIRPTUXCS-BTQNPOSSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-7-(propan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: (1R)-7-isopropoxy-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: (1R)-7-(propan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22578600
• PubChem SID: 164299044
• PubChem CID: 71757176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.29957414
• LogD (pH = 7.4): 0.4936324
• Log P: 2.7035189
• Molar Refractivity: 62.3438 cm^3
• Polarizability: 24.630594 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.824

Product Information

• Purity: 95%