[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine

C13H16FN3O — CID 112608173

IUPAC[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCCn1cncc1COc1c(F)cccc1CN
InChIInChI=1S/C13H16FN3O/c1-2-17-9-16-7-11(17)8-18-13-10(6-15)4-3-5-12(13)14/h3-5,7,9H,2,6,8,15H2,1H3
InChIKeyUQHMONFEXMYSET-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.08
Rot. Bonds5

About [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine

[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 112608173) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
PubChem CID112608173
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCCn1cncc1COc1c(F)cccc1CN
InChIInChI=1S/C13H16FN3O/c1-2-17-9-16-7-11(17)8-18-13-10(6-15)4-3-5-12(13)14/h3-5,7,9H,2,6,8,15H2,1H3
InChIKeyUQHMONFEXMYSET-UHFFFAOYSA-N
XLogP2.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 112607433
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
[3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]methanol
CID 66152427
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
1-[3-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608849
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
CID 115952034
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
CID 66154715
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine (CID 112608173) is [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine is CCn1cncc1COc1c(F)cccc1CN.
What is the InChIKey of [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is UQHMONFEXMYSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-17-9-16-7-11(17)8-18-13-10(6-15)4-3-5-12(13)14/h3-5,7,9H,2,6,8,15H2,1H3.
What are the key properties of [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 249.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 112608173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).