2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine

C14H19N3O — CID 116773334

IUPAC2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1nccn1C
InChIInChI=1S/C14H19N3O/c1-3-18-13(11-7-5-4-6-8-11)12(15)14-16-9-10-17(14)2/h4-10,12-13H,3,15H2,1-2H3
InChIKeyZHGIDAUWRVGYPP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.20
Rot. Bonds5

About 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine

2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine (PubChem CID 116773334) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
PubChem CID116773334
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1nccn1C
InChIInChI=1S/C14H19N3O/c1-3-18-13(11-7-5-4-6-8-11)12(15)14-16-9-10-17(14)2/h4-10,12-13H,3,15H2,1-2H3
InChIKeyZHGIDAUWRVGYPP-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 116757187
triethyl-[(1-methylimidazol-2-yl)-phenylmethoxy]silane
CID 102165928
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
CID 114662162
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
CID 116834667
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine?
The IUPAC name of 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine (CID 116773334) is 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine is CCOC(c1ccccc1)C(N)c1nccn1C.
What is the InChIKey of 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine?
The InChIKey is ZHGIDAUWRVGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-13(11-7-5-4-6-8-11)12(15)14-16-9-10-17(14)2/h4-10,12-13H,3,15H2,1-2H3.
What are the key properties of 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine?
2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 116773334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).