2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C16H23N3O2 — CID 46992179

IUPAC2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCOc1ccccc1OCCN(C)Cc1nccn1C
InChIInChI=1S/C16H23N3O2/c1-4-20-14-7-5-6-8-15(14)21-12-11-18(2)13-16-17-9-10-19(16)3/h5-10H,4,11-13H2,1-3H3
InChIKeyZHMIQBQHSKEHLL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 46992179) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID46992179
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCOc1ccccc1OCCN(C)Cc1nccn1C
InChIInChI=1S/C16H23N3O2/c1-4-20-14-7-5-6-8-15(14)21-12-11-18(2)13-16-17-9-10-19(16)3/h5-10H,4,11-13H2,1-3H3
InChIKeyZHMIQBQHSKEHLL-UHFFFAOYSA-N
XLogP2.33
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 46992179) is 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is CCOc1ccccc1OCCN(C)Cc1nccn1C.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is ZHMIQBQHSKEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-20-14-7-5-6-8-15(14)21-12-11-18(2)13-16-17-9-10-19(16)3/h5-10H,4,11-13H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46992179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).