[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine

C12H15N3O — CID 114702711

IUPAC[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
SMILESCCOc1ccc(-n2cncc2CN)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-12-5-3-10(4-6-12)15-9-14-8-11(15)7-13/h3-6,8-9H,2,7,13H2,1H3
InChIKeyDAGDQERBZFMFFR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.73
Rot. Bonds4

About [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine

[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine (PubChem CID 114702711) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
PubChem CID114702711
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
SMILESCCOc1ccc(-n2cncc2CN)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-12-5-3-10(4-6-12)15-9-14-8-11(15)7-13/h3-6,8-9H,2,7,13H2,1H3
InChIKeyDAGDQERBZFMFFR-UHFFFAOYSA-N
XLogP1.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716275
2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687258
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447047
1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 90935639
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
3-amino-1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 114020791
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]methanamine
CID 114702865

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine (CID 114702711) is [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine is CCOc1ccc(-n2cncc2CN)cc1.
What is the InChIKey of [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine?
The InChIKey is DAGDQERBZFMFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-16-12-5-3-10(4-6-12)15-9-14-8-11(15)7-13/h3-6,8-9H,2,7,13H2,1H3.
What are the key properties of [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine?
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxyphenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114702711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).