2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine

C18H27N3 — CID 62349669

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cn1cnc(C)c1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H27N3/c1-7-19-17(10-21-11-20-15(5)16(21)6)18-13(3)8-12(2)9-14(18)4/h8-9,11,17,19H,7,10H2,1-6H3
InChIKeyWLAUBLYHTFTYDC-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.78
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62349669) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62349669
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(Cn1cnc(C)c1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H27N3/c1-7-19-17(10-21-11-20-15(5)16(21)6)18-13(3)8-12(2)9-14(18)4/h8-9,11,17,19H,7,10H2,1-6H3
InChIKeyWLAUBLYHTFTYDC-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 62349669) is 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine is CCNC(Cn1cnc(C)c1C)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is WLAUBLYHTFTYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-19-17(10-21-11-20-15(5)16(21)6)18-13(3)8-12(2)9-14(18)4/h8-9,11,17,19H,7,10H2,1-6H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.78, 5 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)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62349669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).