N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine

C13H16FN3O — CID 106579931

IUPACN-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
SMILESCCOc1ccc(Nc2nc(C)cn2C)cc1F
InChIInChI=1S/C13H16FN3O/c1-4-18-12-6-5-10(7-11(12)14)16-13-15-9(2)8-17(13)3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyLGSKETVPRLTAME-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.01
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine

N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine (PubChem CID 106579931) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
PubChem CID106579931
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
SMILESCCOc1ccc(Nc2nc(C)cn2C)cc1F
InChIInChI=1S/C13H16FN3O/c1-4-18-12-6-5-10(7-11(12)14)16-13-15-9(2)8-17(13)3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyLGSKETVPRLTAME-UHFFFAOYSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106579930
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
CID 103078820
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932
1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine
CID 106565464
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine (CID 106579931) is N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine is CCOc1ccc(Nc2nc(C)cn2C)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine?
The InChIKey is LGSKETVPRLTAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-4-18-12-6-5-10(7-11(12)14)16-13-15-9(2)8-17(13)3/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine?
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine has a molecular weight of 249.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106579931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).