1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine

C15H20BrN3O — CID 102947375

IUPAC1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCCn1cncc1COc1cc(Br)ccc1C(C)NC
InChIInChI=1S/C15H20BrN3O/c1-4-19-10-18-8-13(19)9-20-15-7-12(16)5-6-14(15)11(2)17-3/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyNGPJFDSUMUQWED-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine

1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 102947375) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID102947375
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCCn1cncc1COc1cc(Br)ccc1C(C)NC
InChIInChI=1S/C15H20BrN3O/c1-4-19-10-18-8-13(19)9-20-15-7-12(16)5-6-14(15)11(2)17-3/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyNGPJFDSUMUQWED-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66152678
1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947322
1-[4-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947338
1-[4-bromo-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947321
1-[4-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 102947525
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360
1-[4-bromo-2-[(3,4-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 102947591
1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947315

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine (CID 102947375) is 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine is CCn1cncc1COc1cc(Br)ccc1C(C)NC.
What is the InChIKey of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is NGPJFDSUMUQWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-19-10-18-8-13(19)9-20-15-7-12(16)5-6-14(15)11(2)17-3/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine?
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 102947375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).