1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine

C13H16FN3O — CID 114022962

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1cn(C)cn1
InChIInChI=1S/C13H16FN3O/c1-15-13(11-7-17(2)8-16-11)9-4-5-12(18-3)10(14)6-9/h4-8,13,15H,1-3H3
InChIKeyIZMVCSLLWLNDQH-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.88
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine (PubChem CID 114022962) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
PubChem CID114022962
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1cn(C)cn1
InChIInChI=1S/C13H16FN3O/c1-15-13(11-7-17(2)8-16-11)9-4-5-12(18-3)10(14)6-9/h4-8,13,15H,1-3H3
InChIKeyIZMVCSLLWLNDQH-UHFFFAOYSA-N
XLogP1.88
TPSA39.08 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974741
[(3,4-difluorophenyl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979097
1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107973755
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
2-(3-fluoro-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974205
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine (CID 114022962) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine is CNC(c1ccc(OC)c(F)c1)c1cn(C)cn1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The InChIKey is IZMVCSLLWLNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-15-13(11-7-17(2)8-16-11)9-4-5-12(18-3)10(14)6-9/h4-8,13,15H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine has a molecular weight of 249.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 114022962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).