3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine

C13H16FN3O — CID 65096402

IUPAC3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
SMILESCCn1c(C)nc(-c2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C13H16FN3O/c1-4-17-8(2)16-12(13(17)15)9-5-6-11(18-3)10(14)7-9/h5-7H,4,15H2,1-3H3
InChIKeyPXEIKXJYVXKDQA-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.61
Rot. Bonds3

About 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine

3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine (PubChem CID 65096402) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
PubChem CID65096402
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
SMILESCCn1c(C)nc(-c2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C13H16FN3O/c1-4-17-8(2)16-12(13(17)15)9-5-6-11(18-3)10(14)7-9/h5-7H,4,15H2,1-3H3
InChIKeyPXEIKXJYVXKDQA-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096311
3-ethyl-2-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 62225022
3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096261
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
2-(3-fluoro-4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 65101402
5-(4-methoxy-3-methylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224174
2-tert-butyl-4-(3-fluoro-4-methoxyphenyl)imidazole-1,5-diamine
CID 65096454
4-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 113299972
5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225991
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
5-(3-fluoro-4-methylphenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 63647032
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine (CID 65096402) is 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine is CCn1c(C)nc(-c2ccc(OC)c(F)c2)c1N.
What is the InChIKey of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine?
The InChIKey is PXEIKXJYVXKDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-4-17-8(2)16-12(13(17)15)9-5-6-11(18-3)10(14)7-9/h5-7H,4,15H2,1-3H3.
What are the key properties of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine?
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine has a molecular weight of 249.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 65096402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).