1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine

C15H20N4O — CID 114705855

IUPAC1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c1-12(16)15-10-17-11-19(15)14-4-2-13(3-5-14)18-6-8-20-9-7-18/h2-5,10-12H,6-9,16H2,1H3
InChIKeyAJOTYDJSFXKDOP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds3

About 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine

1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine (PubChem CID 114705855) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
PubChem CID114705855
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c1-12(16)15-10-17-11-19(15)14-4-2-13(3-5-14)18-6-8-20-9-7-18/h2-5,10-12H,6-9,16H2,1H3
InChIKeyAJOTYDJSFXKDOP-UHFFFAOYSA-N
XLogP1.73
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine (CID 114705855) is 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is AJOTYDJSFXKDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(16)15-10-17-11-19(15)14-4-2-13(3-5-14)18-6-8-20-9-7-18/h2-5,10-12H,6-9,16H2,1H3.
What are the key properties of 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine?
1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114705855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).