1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

C14H18ClFN4 — CID 105001881

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN4/c1-3-17-12(8-13-18-9-19-20(13)4-2)14-10(15)6-5-7-11(14)16/h5-7,9,12,17H,3-4,8H2,1-2H3
InChIKeyJVJKDUIAOQUGPX-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105001881) has the molecular formula C14H18ClFN4 and a molecular weight of 296.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105001881
Molecular FormulaC14H18ClFN4
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN4/c1-3-17-12(8-13-18-9-19-20(13)4-2)14-10(15)6-5-7-11(14)16/h5-7,9,12,17H,3-4,8H2,1-2H3
InChIKeyJVJKDUIAOQUGPX-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
1-(2-chloro-3-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001821
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 107993991
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 114887203
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105217914
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997834

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (CID 105001881) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1CC)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is JVJKDUIAOQUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4/c1-3-17-12(8-13-18-9-19-20(13)4-2)14-10(15)6-5-7-11(14)16/h5-7,9,12,17H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 296.78 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105001881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).