2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine

C13H17N3O — CID 82289193

IUPAC2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine
SMILESCOc1ccccc1-c1nc(CCN)c(C)[nH]1
InChIInChI=1S/C13H17N3O/c1-9-11(7-8-14)16-13(15-9)10-5-3-4-6-12(10)17-2/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyCEFBYRHQFBOJNS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds4

About 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine

2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine (PubChem CID 82289193) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine
PubChem CID82289193
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine
SMILESCOc1ccccc1-c1nc(CCN)c(C)[nH]1
InChIInChI=1S/C13H17N3O/c1-9-11(7-8-14)16-13(15-9)10-5-3-4-6-12(10)17-2/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyCEFBYRHQFBOJNS-UHFFFAOYSA-N
XLogP1.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301524
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
CID 82293864
4-benzyl-2-(2-ethoxyphenyl)-5-methyl-1H-imidazole
CID 139695510
4-(2-methoxyethyl)-5-methyl-2-phenyl-1H-imidazole
CID 70591932
2-[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 43445130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine (CID 82289193) is 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine is COc1ccccc1-c1nc(CCN)c(C)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine?
The InChIKey is CEFBYRHQFBOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-11(7-8-14)16-13(15-9)10-5-3-4-6-12(10)17-2/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine?
2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine is sourced from PubChem (CID 82289193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).