5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 130073
• Molecular Formular: C18H29NO
• Molecular Mass: 275.42896
• Monoisotopic Mass: 275.22491455
• SMILES: CC1C(N(CCC)CCC)CCc2c1cccc2OC
• Canonical SMILES: CCCN(C1CCc2c(C1C)cccc2OC)CCC
• InChI: InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3
• InChIKey: BTOJYCTUJJHANF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: UH-232

Database IDs

• CAS Number: 95999-12-5
• PubChem SID: 162224358
• PubChem CID: 123696; 4638165
• Wikipedia Title: UH-232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2168163
• LogD (pH = 7.4): 1.4833945
• Log P: 4.7134905
• Molar Refractivity: 86.4165 cm^3
• Polarizability: 33.78586 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true