2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol

C15H22F3NO2 — CID 81400610

IUPAC2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-3-14(4-2,10-20)9-19-12-7-5-6-8-13(12)21-11-15(16,17)18/h5-8,19-20H,3-4,9-11H2,1-2H3
InChIKeyVFHFDYPWVJYJAC-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.84
Rot. Bonds8

About 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol

2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol (PubChem CID 81400610) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
PubChem CID81400610
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-3-14(4-2,10-20)9-19-12-7-5-6-8-13(12)21-11-15(16,17)18/h5-8,19-20H,3-4,9-11H2,1-2H3
InChIKeyVFHFDYPWVJYJAC-UHFFFAOYSA-N
XLogP3.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate
CID 81412796
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
2-[(3-ethoxy-2-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 104695647
N-[(1-methylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 62357263
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 126814185
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63654995
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689164

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol (CID 81400610) is 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol is CCC(CC)(CO)CNc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol?
The InChIKey is VFHFDYPWVJYJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-14(4-2,10-20)9-19-12-7-5-6-8-13(12)21-11-15(16,17)18/h5-8,19-20H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol?
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol is sourced from PubChem (CID 81400610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).