[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol

C28H31F3N2O2 — CID 25191639

IUPAC[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(C(F)(F)F)ccc1CO
InChIInChI=1S/C28H31F3N2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(35-3)27-21(10-7-11-22(27)33-24)32-23-14-20(28(29,30)31)13-12-19(23)16-34/h6,8-9,12-15,21,32,34H,4-5,7,10-11,16H2,1-3H3
InChIKeyQAVMYAXPFYKWRF-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.88
Rot. Bonds7

About [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol

[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol (PubChem CID 25191639) has the molecular formula C28H31F3N2O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol
PubChem CID25191639
Molecular FormulaC28H31F3N2O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(C(F)(F)F)ccc1CO
InChIInChI=1S/C28H31F3N2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(35-3)27-21(10-7-11-22(27)33-24)32-23-14-20(28(29,30)31)13-12-19(23)16-34/h6,8-9,12-15,21,32,34H,4-5,7,10-11,16H2,1-3H3
InChIKeyQAVMYAXPFYKWRF-UHFFFAOYSA-N
XLogP6.88
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol (CID 25191639) is [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Nc1cc(C(F)(F)F)ccc1CO.
What is the InChIKey of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is QAVMYAXPFYKWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(35-3)27-21(10-7-11-22(27)33-24)32-23-14-20(28(29,30)31)13-12-19(23)16-34/h6,8-9,12-15,21,32,34H,4-5,7,10-11,16H2,1-3H3.
What are the key properties of [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol?
[2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 484.56 g/mol, XLogP of 6.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 25191639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).