2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol

C13H19F3N2O — CID 62523635

IUPAC2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-3-12(4-2,8-19)18-9-5-6-11(17)10(7-9)13(14,15)16/h5-7,18-19H,3-4,8,17H2,1-2H3
InChIKeyHDQNKPPMLOBXAK-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol

2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol (PubChem CID 62523635) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
PubChem CID62523635
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-3-12(4-2,8-19)18-9-5-6-11(17)10(7-9)13(14,15)16/h5-7,18-19H,3-4,8,17H2,1-2H3
InChIKeyHDQNKPPMLOBXAK-UHFFFAOYSA-N
XLogP3.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-2-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
CID 62524303
2-(4-amino-3-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 23104610
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
CID 106141163
[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62552640
1-[4-amino-3-(trifluoromethyl)anilino]ethenol
CID 143635678
2-anilino-2-ethylbutan-1-ol
CID 61046791
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol (CID 62523635) is 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol?
The InChIKey is HDQNKPPMLOBXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-12(4-2,8-19)18-9-5-6-11(17)10(7-9)13(14,15)16/h5-7,18-19H,3-4,8,17H2,1-2H3.
What are the key properties of 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol?
2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62523635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).