1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C14H18FN3O — CID 112695118

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1nccn1C
InChIInChI=1S/C14H18FN3O/c1-10(17-9-13-16-7-8-18(13)2)14-11(15)5-4-6-12(14)19-3/h4-8,10,17H,9H2,1-3H3
InChIKeyOGWJHKQJKQBCMW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.42
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 112695118) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID112695118
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1nccn1C
InChIInChI=1S/C14H18FN3O/c1-10(17-9-13-16-7-8-18(13)2)14-11(15)5-4-6-12(14)19-3/h4-8,10,17H,9H2,1-3H3
InChIKeyOGWJHKQJKQBCMW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluoro-6-methoxyphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105252516
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115768061
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 112695118) is 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is COc1cccc(F)c1C(C)NCc1nccn1C.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is OGWJHKQJKQBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(17-9-13-16-7-8-18(13)2)14-11(15)5-4-6-12(14)19-3/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 112695118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).