1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine

C14H18BrN3O — CID 55109188

IUPAC1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCn1ccnc1COc1ccc(Br)cc1C(C)N
InChIInChI=1S/C14H18BrN3O/c1-3-18-7-6-17-14(18)9-19-13-5-4-11(15)8-12(13)10(2)16/h4-8,10H,3,9,16H2,1-2H3
InChIKeyBJJRLBCRINQEEV-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.26
Rot. Bonds5

About 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine

1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 55109188) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID55109188
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCn1ccnc1COc1ccc(Br)cc1C(C)N
InChIInChI=1S/C14H18BrN3O/c1-3-18-7-6-17-14(18)9-19-13-5-4-11(15)8-12(13)10(2)16/h4-8,10H,3,9,16H2,1-2H3
InChIKeyBJJRLBCRINQEEV-UHFFFAOYSA-N
XLogP3.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-bromo-2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013822
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936245
(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013815
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
CID 62736409
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine (CID 55109188) is 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine is CCn1ccnc1COc1ccc(Br)cc1C(C)N.
What is the InChIKey of 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is BJJRLBCRINQEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-18-7-6-17-14(18)9-19-13-5-4-11(15)8-12(13)10(2)16/h4-8,10H,3,9,16H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine?
1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 55109188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).