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

C14H19N3O — CID 117000098

IUPAC2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2nc[nH]c2CCNC)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-12-6-4-11(5-7-12)14-13(8-9-15-2)16-10-17-14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyKLIIXMAGYKZRGJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds6

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

2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine (PubChem CID 117000098) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine
PubChem CID117000098
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2nc[nH]c2CCNC)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-12-6-4-11(5-7-12)14-13(8-9-15-2)16-10-17-14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyKLIIXMAGYKZRGJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 117000099
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
CID 156626992
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
[3-(4-ethoxyphenyl)pyrazin-2-yl]hydrazine
CID 112559554
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine (CID 117000098) is 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine is CCOc1ccc(-c2nc[nH]c2CCNC)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
The InChIKey is KLIIXMAGYKZRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-12-6-4-11(5-7-12)14-13(8-9-15-2)16-10-17-14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-1H-imidazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 117000098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).