1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine

C13H17N3O2 — CID 116810642

IUPAC1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine
SMILESCNC(c1ncc[nH]1)c1c(OC)cccc1OC
InChIInChI=1S/C13H17N3O2/c1-14-12(13-15-7-8-16-13)11-9(17-2)5-4-6-10(11)18-3/h4-8,12,14H,1-3H3,(H,15,16)
InChIKeyAILIAGLMHULSLT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.74
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine

1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine (PubChem CID 116810642) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine
PubChem CID116810642
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine
SMILESCNC(c1ncc[nH]1)c1c(OC)cccc1OC
InChIInChI=1S/C13H17N3O2/c1-14-12(13-15-7-8-16-13)11-9(17-2)5-4-6-10(11)18-3/h4-8,12,14H,1-3H3,(H,15,16)
InChIKeyAILIAGLMHULSLT-UHFFFAOYSA-N
XLogP1.74
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
CID 126809172
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471
[2-(2-fluoro-3-methoxyphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252342
[(2-ethoxyphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252010
1-(1H-imidazol-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330786
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571
1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105052091
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine (CID 116810642) is 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine is CNC(c1ncc[nH]1)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine?
The InChIKey is AILIAGLMHULSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-12(13-15-7-8-16-13)11-9(17-2)5-4-6-10(11)18-3/h4-8,12,14H,1-3H3,(H,15,16).
What are the key properties of 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine?
1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-1-(1H-imidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 116810642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).