[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine

C13H16FN3O — CID 107695029

IUPAC[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
SMILESCCn1cncc1COc1ccc(F)cc1CN
InChIInChI=1S/C13H16FN3O/c1-2-17-9-16-7-12(17)8-18-13-4-3-11(14)5-10(13)6-15/h3-5,7,9H,2,6,8,15H2,1H3
InChIKeyRPWOZOITNJTEQJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.08
Rot. Bonds5

About [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine

[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine (PubChem CID 107695029) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
PubChem CID107695029
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
SMILESCCn1cncc1COc1ccc(F)cc1CN
InChIInChI=1S/C13H16FN3O/c1-2-17-9-16-7-12(17)8-18-13-4-3-11(14)5-10(13)6-15/h3-5,7,9H,2,6,8,15H2,1H3
InChIKeyRPWOZOITNJTEQJ-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

Analyze [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608173
4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82921640
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343
4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine
CID 66153757
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948
3-chloro-4-[(3-ethylimidazol-4-yl)methoxy]benzonitrile
CID 66154713
3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
CID 66152798
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine (CID 107695029) is [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine is CCn1cncc1COc1ccc(F)cc1CN.
What is the InChIKey of [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine?
The InChIKey is RPWOZOITNJTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-17-9-16-7-12(17)8-18-13-4-3-11(14)5-10(13)6-15/h3-5,7,9H,2,6,8,15H2,1H3.
What are the key properties of [2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine?
[2-[(3-ethylimidazol-4-yl)methoxy]-5-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]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107695029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).