N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine

C13H15F2N3 — CID 106578611

IUPACN-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1c(F)ccc(C)c1F
InChIInChI=1S/C13H15F2N3/c1-4-18-7-9(3)16-13(18)17-12-10(14)6-5-8(2)11(12)15/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyUCAFOIMIDHXDOD-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.54
Rot. Bonds3

About N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine

N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106578611) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106578611
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1c(F)ccc(C)c1F
InChIInChI=1S/C13H15F2N3/c1-4-18-7-9(3)16-13(18)17-12-10(14)6-5-8(2)11(12)15/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyUCAFOIMIDHXDOD-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
N-(1-ethyl-4-methylimidazol-2-yl)-2,4-dimethylpyridin-3-amine
CID 112742011
N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
N-(3-bromo-4-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106573029
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-ethyl-4-methyl-N-(1-methylpyrazol-3-yl)imidazol-2-amine
CID 106562971
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106578611) is N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1c(F)ccc(C)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is UCAFOIMIDHXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-4-18-7-9(3)16-13(18)17-12-10(14)6-5-8(2)11(12)15/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106578611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).