N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine

C16H23N3O — CID 62738073

IUPACN-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2nccn2CC)cc1
InChIInChI=1S/C16H23N3O/c1-4-17-13(3)14-6-8-15(9-7-14)20-12-16-18-10-11-19(16)5-2/h6-11,13,17H,4-5,12H2,1-3H3
InChIKeyOSNNZPXKKPNRHV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine

N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 62738073) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID62738073
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2nccn2CC)cc1
InChIInChI=1S/C16H23N3O/c1-4-17-13(3)14-6-8-15(9-7-14)20-12-16-18-10-11-19(16)5-2/h6-11,13,17H,4-5,12H2,1-3H3
InChIKeyOSNNZPXKKPNRHV-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494639
N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640480
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099161

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine (CID 62738073) is N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(OCc2nccn2CC)cc1.
What is the InChIKey of N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is OSNNZPXKKPNRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-17-13(3)14-6-8-15(9-7-14)20-12-16-18-10-11-19(16)5-2/h6-11,13,17H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 62738073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).