2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine

C15H21N3O — CID 50968779

IUPAC2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
SMILESCCc1ccccc1OCCN(C)Cc1ncc[nH]1
InChIInChI=1S/C15H21N3O/c1-3-13-6-4-5-7-14(13)19-11-10-18(2)12-15-16-8-9-17-15/h4-9H,3,10-12H2,1-2H3,(H,16,17)
InChIKeyRRPUBVSNUVAXPY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine

2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine (PubChem CID 50968779) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
PubChem CID50968779
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
SMILESCCc1ccccc1OCCN(C)Cc1ncc[nH]1
InChIInChI=1S/C15H21N3O/c1-3-13-6-4-5-7-14(13)19-11-10-18(2)12-15-16-8-9-17-15/h4-9H,3,10-12H2,1-2H3,(H,16,17)
InChIKeyRRPUBVSNUVAXPY-UHFFFAOYSA-N
XLogP2.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine (CID 50968779) is 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine is CCc1ccccc1OCCN(C)Cc1ncc[nH]1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
The InChIKey is RRPUBVSNUVAXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-13-6-4-5-7-14(13)19-11-10-18(2)12-15-16-8-9-17-15/h4-9H,3,10-12H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine?
2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 50968779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).