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

C14H18FN3O — CID 104794216

IUPAC2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1nccn1C
InChIInChI=1S/C14H18FN3O/c1-16-11(14-17-7-8-18(14)2)9-10-5-4-6-12(19-3)13(10)15/h4-8,11,16H,9H2,1-3H3
InChIKeyXELROTUSPSPOQB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.07
Rot. Bonds5

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

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 104794216) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID104794216
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1nccn1C
InChIInChI=1S/C14H18FN3O/c1-16-11(14-17-7-8-18(14)2)9-10-5-4-6-12(19-3)13(10)15/h4-8,11,16H,9H2,1-3H3
InChIKeyXELROTUSPSPOQB-UHFFFAOYSA-N
XLogP2.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 113453816
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 63975168
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (CID 104794216) is 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1cccc(OC)c1F)c1nccn1C.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is XELROTUSPSPOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-11(14-17-7-8-18(14)2)9-10-5-4-6-12(19-3)13(10)15/h4-8,11,16H,9H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.07, 5 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)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 104794216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).