N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine

C15H21N3O — CID 14555626

IUPACN,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)11-12-19-15-7-5-14(6-8-15)18-10-9-16-13-18/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyWPUUCRUYIRXFFZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds7

About N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine

N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine (PubChem CID 14555626) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine
PubChem CID14555626
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)11-12-19-15-7-5-14(6-8-15)18-10-9-16-13-18/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyWPUUCRUYIRXFFZ-UHFFFAOYSA-N
XLogP2.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine (CID 14555626) is N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine is CCN(CC)CCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine?
The InChIKey is WPUUCRUYIRXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17(4-2)11-12-19-15-7-5-14(6-8-15)18-10-9-16-13-18/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine?
N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine is sourced from PubChem (CID 14555626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).