2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline

C12H15FN4O — CID 62757956

IUPAC2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1cn(C)nn1
InChIInChI=1S/C12H15FN4O/c1-3-18-12-6-9(13)4-5-11(12)14-7-10-8-17(2)16-15-10/h4-6,8,14H,3,7H2,1-2H3
InChIKeyNAIPGFGYFWQWGP-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.97
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline

2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline (PubChem CID 62757956) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
PubChem CID62757956
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1cn(C)nn1
InChIInChI=1S/C12H15FN4O/c1-3-18-12-6-9(13)4-5-11(12)14-7-10-8-17(2)16-15-10/h4-6,8,14H,3,7H2,1-2H3
InChIKeyNAIPGFGYFWQWGP-UHFFFAOYSA-N
XLogP1.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742
2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 103865833
4-fluoro-N-[(1-methyltriazol-4-yl)methyl]-2-nitroaniline
CID 55113981
2-ethoxy-4-fluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62356406
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
CID 62757923
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline (CID 62757956) is 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline is CCOc1cc(F)ccc1NCc1cn(C)nn1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The InChIKey is NAIPGFGYFWQWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-18-12-6-9(13)4-5-11(12)14-7-10-8-17(2)16-15-10/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline has a molecular weight of 250.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 62757956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).