2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine

C8H15N3O — CID 114717344

IUPAC2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
SMILESCOCCn1cncc1CCN
InChIInChI=1S/C8H15N3O/c1-12-5-4-11-7-10-6-8(11)2-3-9/h6-7H,2-5,9H2,1H3
InChIKeyFBOLHVGQLCQLSL-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.03
Rot. Bonds5

About 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine

2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine (PubChem CID 114717344) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
PubChem CID114717344
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
SMILESCOCCn1cncc1CCN
InChIInChI=1S/C8H15N3O/c1-12-5-4-11-7-10-6-8(11)2-3-9/h6-7H,2-5,9H2,1H3
InChIKeyFBOLHVGQLCQLSL-UHFFFAOYSA-N
XLogP0.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)imidazole
CID 155261577
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
5-tert-butyl-1-(2-methoxyethyl)imidazole
CID 155642185
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
CID 18670849

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine (CID 114717344) is 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine is COCCn1cncc1CCN.
What is the InChIKey of 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine?
The InChIKey is FBOLHVGQLCQLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-12-5-4-11-7-10-6-8(11)2-3-9/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine?
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114717344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).