1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine

C15H20FN3O — CID 106579932

IUPAC1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCCOc1ccc(-n2cc(C)nc2NC(C)C)cc1F
InChIInChI=1S/C15H20FN3O/c1-5-20-14-7-6-12(8-13(14)16)19-9-11(4)18-15(19)17-10(2)3/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyYKEDEIMLEYQKFT-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106579932) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106579932
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCCOc1ccc(-n2cc(C)nc2NC(C)C)cc1F
InChIInChI=1S/C15H20FN3O/c1-5-20-14-7-6-12(8-13(14)16)19-9-11(4)18-15(19)17-10(2)3/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyYKEDEIMLEYQKFT-UHFFFAOYSA-N
XLogP3.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106583328
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931
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-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447060
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
CID 106556563

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106579932) is 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine is CCOc1ccc(-n2cc(C)nc2NC(C)C)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is YKEDEIMLEYQKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-5-20-14-7-6-12(8-13(14)16)19-9-11(4)18-15(19)17-10(2)3/h6-10H,5H2,1-4H3,(H,17,18).
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 277.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106579932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).