8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 128106
• Molecular Formular: C13H18ClNO
• Molecular Mass: 239.74112
• Monoisotopic Mass: 239.10769188
• SMILES: Clc1ccc(OC)c2c1C(N(C)C)CCC2
• Canonical SMILES: COc1ccc(c2c1CCCC2N(C)C)Cl
• InChI: InChI=1S/C13H18ClNO/c1-15(2)11-6-4-5-9-12(16-3)8-7-10(14)13(9)11/h7-8,11H,4-6H2,1-3H3
• InChIKey: MTWNWMGGMZUIMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: lometraline hydrochloride
• Synonyms: ''N'',''N''-dimethyl-8-chloro-5-methoxy-1-aminotetralin; Lometraline

Database IDs

• CAS Number: 39951-65-0
• PubChem SID: 162222420
• PubChem CID: 34789
• Chemspider ID: 32014
• Wikipedia Title: Lometraline

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8754688
• LogD (pH = 7.4): 2.6404305
• Log P: 3.349809
• Molar Refractivity: 68.0505 cm^3
• Polarizability: 26.470003 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true