2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine

C12H14F2N4 — CID 82922839

IUPAC2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1cn[nH]n1
InChIInChI=1S/C12H14F2N4/c1-2-15-11(12-7-16-18-17-12)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,15H,2,6H2,1H3,(H,16,17,18)
InChIKeyBZNQLMLVIRUKIM-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.98
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine

2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine (PubChem CID 82922839) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
PubChem CID82922839
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1cn[nH]n1
InChIInChI=1S/C12H14F2N4/c1-2-15-11(12-7-16-18-17-12)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,15H,2,6H2,1H3,(H,16,17,18)
InChIKeyBZNQLMLVIRUKIM-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
CID 103048972
2-(3,4-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 82922139
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 82876819
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 82922563

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine (CID 82922839) is 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine is CCNC(Cc1ccc(F)c(F)c1)c1cn[nH]n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine?
The InChIKey is BZNQLMLVIRUKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-2-15-11(12-7-16-18-17-12)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,15H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine?
2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine has a molecular weight of 252.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 82922839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).