2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol

C20H27F3N2O — CID 90669706

IUPAC2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol
SMILESCCCCN(CCCC)CC(O)c1cnc2c(C(F)(F)F)cccc2c1
InChIInChI=1S/C20H27F3N2O/c1-3-5-10-25(11-6-4-2)14-18(26)16-12-15-8-7-9-17(20(21,22)23)19(15)24-13-16/h7-9,12-13,18,26H,3-6,10-11,14H2,1-2H3
InChIKeyCPSHFGCAVAAYNO-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.19
Rot. Bonds9

About 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol

2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol (PubChem CID 90669706) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol
PubChem CID90669706
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol
SMILESCCCCN(CCCC)CC(O)c1cnc2c(C(F)(F)F)cccc2c1
InChIInChI=1S/C20H27F3N2O/c1-3-5-10-25(11-6-4-2)14-18(26)16-12-15-8-7-9-17(20(21,22)23)19(15)24-13-16/h7-9,12-13,18,26H,3-6,10-11,14H2,1-2H3
InChIKeyCPSHFGCAVAAYNO-UHFFFAOYSA-N
XLogP5.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1514385
CID 1514385
CID 80479
CID 80479
CID 432290
CID 432290
CID 12662983
CID 12662983
CID 315014
CID 315014
CID 432292
CID 432292
CID 46232358
CID 46232358
CID 46232872
CID 46232872
CID 54578090
CID 54578090
CID 91559335
CID 91559335
CID 12415752
CID 12415752
CID 129617
CID 129617

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol?
The IUPAC name of 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol (CID 90669706) is 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol.
What is the SMILES notation for 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol?
The canonical SMILES for 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol is CCCCN(CCCC)CC(O)c1cnc2c(C(F)(F)F)cccc2c1.
What is the InChIKey of 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol?
The InChIKey is CPSHFGCAVAAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-3-5-10-25(11-6-4-2)14-18(26)16-12-15-8-7-9-17(20(21,22)23)19(15)24-13-16/h7-9,12-13,18,26H,3-6,10-11,14H2,1-2H3.
What are the key properties of 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol?
2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol has a molecular weight of 368.44 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-[8-(trifluoromethyl)quinolin-3-yl]ethanol is sourced from PubChem (CID 90669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).