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

C13H16FN3O — CID 82811959

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1cccc(OC)c1F)c1nccn1C
InChIInChI=1S/C13H16FN3O/c1-15-12(13-16-7-8-17(13)2)9-5-4-6-10(18-3)11(9)14/h4-8,12,15H,1-3H3
InChIKeyFCMXUYMYSULMIS-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.88
Rot. Bonds4

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

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 82811959) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID82811959
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1cccc(OC)c1F)c1nccn1C
InChIInChI=1S/C13H16FN3O/c1-15-12(13-16-7-8-17(13)2)9-5-4-6-10(18-3)11(9)14/h4-8,12,15H,1-3H3
InChIKeyFCMXUYMYSULMIS-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

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 104794216
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105174824
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 82808124
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61314637
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 82811959) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1cccc(OC)c1F)c1nccn1C.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is FCMXUYMYSULMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-15-12(13-16-7-8-17(13)2)9-5-4-6-10(18-3)11(9)14/h4-8,12,15H,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-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-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 82811959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).