2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol

C15H22F3NO — CID 62517490

IUPAC2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
SMILESCCC(CC)(CO)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-14(5-2,10-20)19-11(3)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,19-20H,4-5,10H2,1-3H3
InChIKeyWXFPVWZLJFCOAW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.91
Rot. Bonds6

About 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol

2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol (PubChem CID 62517490) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
PubChem CID62517490
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
SMILESCCC(CC)(CO)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-14(5-2,10-20)19-11(3)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,19-20H,4-5,10H2,1-3H3
InChIKeyWXFPVWZLJFCOAW-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
CID 103935636
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
2-methyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 61219595
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
CID 63999141
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetonitrile
CID 86782131
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol (CID 62517490) is 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol is CCC(CC)(CO)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
The InChIKey is WXFPVWZLJFCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-14(5-2,10-20)19-11(3)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,19-20H,4-5,10H2,1-3H3.
What are the key properties of 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol is sourced from PubChem (CID 62517490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).