2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine

C13H17N3O — CID 83894917

IUPAC2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine
SMILESCOc1ccccc1-n1c(C)cnc1CCN
InChIInChI=1S/C13H17N3O/c1-10-9-15-13(7-8-14)16(10)11-5-3-4-6-12(11)17-2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyVVZCLKBAFSZECS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine

2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine (PubChem CID 83894917) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine
PubChem CID83894917
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine
SMILESCOc1ccccc1-n1c(C)cnc1CCN
InChIInChI=1S/C13H17N3O/c1-10-9-15-13(7-8-14)16(10)11-5-3-4-6-12(11)17-2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyVVZCLKBAFSZECS-UHFFFAOYSA-N
XLogP1.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
5-bromo-1-(2-methoxyphenyl)imidazol-2-amine
CID 172993232
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
CID 115056392
2-[4-(2-fluorophenyl)-5-methoxy-1,2,4-triazol-3-yl]ethanamine
CID 83897003
[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 39247985
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
1-ethyl-2-[(2-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188610
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
CID 50850667

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine (CID 83894917) is 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine is COc1ccccc1-n1c(C)cnc1CCN.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine?
The InChIKey is VVZCLKBAFSZECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-9-15-13(7-8-14)16(10)11-5-3-4-6-12(11)17-2/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine?
2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine is sourced from PubChem (CID 83894917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).