1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine

C14H18FN3O — CID 106583328

IUPAC1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCOc1cc(-n2cc(C)nc2NC(C)C)ccc1F
InChIInChI=1S/C14H18FN3O/c1-9(2)16-14-17-10(3)8-18(14)11-5-6-12(15)13(7-11)19-4/h5-9H,1-4H3,(H,16,17)
InChIKeyFAHZQWSOFVGUAN-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106583328) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106583328
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCOc1cc(-n2cc(C)nc2NC(C)C)ccc1F
InChIInChI=1S/C14H18FN3O/c1-9(2)16-14-17-10(3)8-18(14)11-5-6-12(15)13(7-11)19-4/h5-9H,1-4H3,(H,16,17)
InChIKeyFAHZQWSOFVGUAN-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106583334
4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571585
4-methyl-N-propan-2-yl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570956
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313
1-(2-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106561052
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106583328) is 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine is COc1cc(-n2cc(C)nc2NC(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is FAHZQWSOFVGUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(2)16-14-17-10(3)8-18(14)11-5-6-12(15)13(7-11)19-4/h5-9H,1-4H3,(H,16,17).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106583328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).