2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine

C15H21N3O — CID 82301218

IUPAC2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1c(C)cc(-c2cnc(CCN)[nH]2)c(C)c1C
InChIInChI=1S/C15H21N3O/c1-9-7-12(10(2)11(3)15(9)19-4)13-8-17-14(18-13)5-6-16/h7-8H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyGCSBSDUCFJZOQX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds4

About 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine

2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82301218) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID82301218
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1c(C)cc(-c2cnc(CCN)[nH]2)c(C)c1C
InChIInChI=1S/C15H21N3O/c1-9-7-12(10(2)11(3)15(9)19-4)13-8-17-14(18-13)5-6-16/h7-8H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyGCSBSDUCFJZOQX-UHFFFAOYSA-N
XLogP2.51
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole
CID 116878079
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82484722
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
[5-(5-chloro-2-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879196
2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine
CID 82387877
2-[5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazol-2-yl]ethanol
CID 116878374
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine (CID 82301218) is 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine is COc1c(C)cc(-c2cnc(CCN)[nH]2)c(C)c1C.
What is the InChIKey of 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is GCSBSDUCFJZOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-7-12(10(2)11(3)15(9)19-4)13-8-17-14(18-13)5-6-16/h7-8H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine?
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82301218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).