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

C16H23N3O — CID 96669273

IUPAC2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCOc1c(C)cc(-c2nc(CCN)[nH]c2C)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-9-8-13(10(2)11(3)16(9)20-5)15-12(4)18-14(19-15)6-7-17/h8H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyWPSDANWBLXMSSC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.82
Rot. Bonds4

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

2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine (PubChem CID 96669273) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
PubChem CID96669273
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCOc1c(C)cc(-c2nc(CCN)[nH]c2C)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-9-8-13(10(2)11(3)16(9)20-5)15-12(4)18-14(19-15)6-7-17/h8H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyWPSDANWBLXMSSC-UHFFFAOYSA-N
XLogP2.82
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82484722
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole
CID 116878079
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
3-[5-methyl-4-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82488585
2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215
4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine
CID 84605999
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine
CID 82289646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine (CID 96669273) is 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine is COc1c(C)cc(-c2nc(CCN)[nH]c2C)c(C)c1C.
What is the InChIKey of 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The InChIKey is WPSDANWBLXMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-9-8-13(10(2)11(3)16(9)20-5)15-12(4)18-14(19-15)6-7-17/h8H,6-7,17H2,1-5H3,(H,18,19).
What are the key properties of 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 96669273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).