N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine

C15H21N3O — CID 60882874

IUPACN-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCCn1ccnc1
InChIInChI=1S/C15H21N3O/c1-3-17-13(2)14-6-4-5-7-15(14)19-11-10-18-9-8-16-12-18/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyQPULTQKWMZEZMG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds7

About N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine

N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 60882874) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
PubChem CID60882874
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCCn1ccnc1
InChIInChI=1S/C15H21N3O/c1-3-17-13(2)14-6-4-5-7-15(14)19-11-10-18-9-8-16-12-18/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyQPULTQKWMZEZMG-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
CID 40609983
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
CID 79098674
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine (CID 60882874) is N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine is CCNC(C)c1ccccc1OCCn1ccnc1.
What is the InChIKey of N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is QPULTQKWMZEZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17-13(2)14-6-4-5-7-15(14)19-11-10-18-9-8-16-12-18/h4-9,12-13,17H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine?
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 60882874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).