N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H17F3N4O — CID 114213297

IUPACN-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cnnn1CC
InChIInChI=1S/C10H17F3N4O/c1-3-14-8(6-18-7-10(11,12)13)9-5-15-16-17(9)4-2/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyNTNZQTKNKQNLRQ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.53
Rot. Bonds7

About N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 114213297) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID114213297
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cnnn1CC
InChIInChI=1S/C10H17F3N4O/c1-3-14-8(6-18-7-10(11,12)13)9-5-15-16-17(9)4-2/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyNTNZQTKNKQNLRQ-UHFFFAOYSA-N
XLogP1.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
N-ethyl-1-(3-ethyltriazol-4-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114213282
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217778
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207295
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216454
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 114213297) is N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1cnnn1CC.
What is the InChIKey of N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NTNZQTKNKQNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-3-14-8(6-18-7-10(11,12)13)9-5-15-16-17(9)4-2/h5,8,14H,3-4,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 266.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 114213297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).