2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine

C13H16FN3O — CID 113453816

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1cccc(CC(N)c2nccn2C)c1F
InChIInChI=1S/C13H16FN3O/c1-17-7-6-16-13(17)10(15)8-9-4-3-5-11(18-2)12(9)14/h3-7,10H,8,15H2,1-2H3
InChIKeyHBJRVJCNSORIEA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 113453816) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID113453816
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1cccc(CC(N)c2nccn2C)c1F
InChIInChI=1S/C13H16FN3O/c1-17-7-6-16-13(17)10(15)8-9-4-3-5-11(18-2)12(9)14/h3-7,10H,8,15H2,1-2H3
InChIKeyHBJRVJCNSORIEA-UHFFFAOYSA-N
XLogP1.81
TPSA53.07 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 104794216
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
1-(3-chloro-2-pyridinyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103443769
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 63970215
2-(2-fluoro-3-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113453797
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
2-(2-fluoro-3-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105180632

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine (CID 113453816) is 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine is COc1cccc(CC(N)c2nccn2C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is HBJRVJCNSORIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-7-6-16-13(17)10(15)8-9-4-3-5-11(18-2)12(9)14/h3-7,10H,8,15H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 113453816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).