2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol

C14H20F3NO2 — CID 64548724

IUPAC2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-3-13(2,9-19)18-8-12(20)10-5-4-6-11(7-10)14(15,16)17/h4-7,12,18-20H,3,8-9H2,1-2H3
InChIKeyQLXLPLGSLSWPPJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.49
Rot. Bonds6

About 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol

2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol (PubChem CID 64548724) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
PubChem CID64548724
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-3-13(2,9-19)18-8-12(20)10-5-4-6-11(7-10)14(15,16)17/h4-7,12,18-20H,3,8-9H2,1-2H3
InChIKeyQLXLPLGSLSWPPJ-UHFFFAOYSA-N
XLogP2.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
2-[1-[4-(aminomethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70554567
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
CID 71911336
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol (CID 64548724) is 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol is CCC(C)(CO)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol?
The InChIKey is QLXLPLGSLSWPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-3-13(2,9-19)18-8-12(20)10-5-4-6-11(7-10)14(15,16)17/h4-7,12,18-20H,3,8-9H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol?
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol has a molecular weight of 291.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64548724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).