4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole

C15H20FN3O — CID 112719733

IUPAC4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
SMILESCCOc1ccc(F)cc1C(C)Cc1cn(CC)nn1
InChIInChI=1S/C15H20FN3O/c1-4-19-10-13(17-18-19)8-11(3)14-9-12(16)6-7-15(14)20-5-2/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyJKSFMBCLLKCGSG-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.18
Rot. Bonds6

About 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole

4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole (PubChem CID 112719733) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
PubChem CID112719733
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
SMILESCCOc1ccc(F)cc1C(C)Cc1cn(CC)nn1
InChIInChI=1S/C15H20FN3O/c1-4-19-10-13(17-18-19)8-11(3)14-9-12(16)6-7-15(14)20-5-2/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyJKSFMBCLLKCGSG-UHFFFAOYSA-N
XLogP3.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,3-dimethyl-4-propoxyphenyl)propyl]-1-ethyltriazole
CID 112719366
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
CID 112717101
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136
1-ethyl-4-[2-(5-ethylthiophen-2-yl)propyl]triazole
CID 112718224
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole
CID 112719715
1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol
CID 164718740
2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757956
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole (CID 112719733) is 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole is CCOc1ccc(F)cc1C(C)Cc1cn(CC)nn1.
What is the InChIKey of 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole?
The InChIKey is JKSFMBCLLKCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-19-10-13(17-18-19)8-11(3)14-9-12(16)6-7-15(14)20-5-2/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole?
4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole has a molecular weight of 277.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole is sourced from PubChem (CID 112719733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).