[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine

C13H17N3O — CID 82289248

IUPAC[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCCOc1ccc(-c2nc[nH]c2CN)cc1C
InChIInChI=1S/C13H17N3O/c1-3-17-12-5-4-10(6-9(12)2)13-11(7-14)15-8-16-13/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyAZGRWIRTHJVHDN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds4

About [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine

[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 82289248) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID82289248
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCCOc1ccc(-c2nc[nH]c2CN)cc1C
InChIInChI=1S/C13H17N3O/c1-3-17-12-5-4-10(6-9(12)2)13-11(7-14)15-8-16-13/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyAZGRWIRTHJVHDN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde
CID 116894400
1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95465136
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96668570
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82474889
[4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82282609

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine (CID 82289248) is [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine is CCOc1ccc(-c2nc[nH]c2CN)cc1C.
What is the InChIKey of [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is AZGRWIRTHJVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-12-5-4-10(6-9(12)2)13-11(7-14)15-8-16-13/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine?
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82289248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).