2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine

C16H23N3 — CID 62349856

IUPAC2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cn1cnc(C)c1C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H23N3/c1-11-6-7-15(8-12(11)2)16(17-5)9-19-10-18-13(3)14(19)4/h6-8,10,16-17H,9H2,1-5H3
InChIKeyIQLOJHRIENVCOZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.08
Rot. Bonds4

About 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine

2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 62349856) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID62349856
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cn1cnc(C)c1C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H23N3/c1-11-6-7-15(8-12(11)2)16(17-5)9-19-10-18-13(3)14(19)4/h6-8,10,16-17H,9H2,1-5H3
InChIKeyIQLOJHRIENVCOZ-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 62352149
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 62350731
2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 55064734
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065
N-[2-(4,5-dimethylimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 62351256
1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178951
1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
CID 62350364
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62349669
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 63220037
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351977

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine (CID 62349856) is 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cn1cnc(C)c1C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is IQLOJHRIENVCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-6-7-15(8-12(11)2)16(17-5)9-19-10-18-13(3)14(19)4/h6-8,10,16-17H,9H2,1-5H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 62349856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).