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

C13H17N3O — CID 82463571

IUPAC1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCCOc1ccc(-c2ncc(C(C)N)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-11-6-4-10(5-7-11)13-15-8-12(16-13)9(2)14/h4-9H,3,14H2,1-2H3,(H,15,16)
InChIKeyDCGITDJNNYVRPI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.50
Rot. Bonds4

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

1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 82463571) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID82463571
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCCOc1ccc(-c2ncc(C(C)N)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-11-6-4-10(5-7-11)13-15-8-12(16-13)9(2)14/h4-9H,3,14H2,1-2H3,(H,15,16)
InChIKeyDCGITDJNNYVRPI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenyl)-1H-imidazol-5-yl]ethanamine
CID 82379767
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682
1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine
CID 82463629
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine
CID 116877861
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine
CID 50980448
[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82463581
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine (CID 82463571) is 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine is CCOc1ccc(-c2ncc(C(C)N)[nH]2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is DCGITDJNNYVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-11-6-4-10(5-7-11)13-15-8-12(16-13)9(2)14/h4-9H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine?
1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82463571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).