1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine

C16H22BrN3O — CID 102947693

IUPAC1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1nccn1CC
InChIInChI=1S/C16H22BrN3O/c1-4-18-12(3)14-7-6-13(17)10-15(14)21-11-16-19-8-9-20(16)5-2/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyGXZISGPVLMZUFB-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.91
Rot. Bonds7

About 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine

1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 102947693) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
PubChem CID102947693
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1nccn1CC
InChIInChI=1S/C16H22BrN3O/c1-4-18-12(3)14-7-6-13(17)10-15(14)21-11-16-19-8-9-20(16)5-2/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyGXZISGPVLMZUFB-UHFFFAOYSA-N
XLogP3.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640480
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[4-bromo-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947321
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine (CID 102947693) is 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCc1nccn1CC.
What is the InChIKey of 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is GXZISGPVLMZUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-18-12(3)14-7-6-13(17)10-15(14)21-11-16-19-8-9-20(16)5-2/h6-10,12,18H,4-5,11H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine?
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 102947693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).