1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine

C14H17BrClN3O — CID 102947322

IUPAC1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H17BrClN3O/c1-9(17-2)11-5-4-10(15)6-12(11)20-8-14-18-7-13(16)19(14)3/h4-7,9,17H,8H2,1-3H3
InChIKeyUHBXHHKBIQARCV-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.70
Rot. Bonds5

About 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine

1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 102947322) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID102947322
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H17BrClN3O/c1-9(17-2)11-5-4-10(15)6-12(11)20-8-14-18-7-13(16)19(14)3/h4-7,9,17H,8H2,1-3H3
InChIKeyUHBXHHKBIQARCV-UHFFFAOYSA-N
XLogP3.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040
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-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947555
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947375
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
N-[[5-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60881433
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
1-[4-bromo-2-[(3,4-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 102947591
1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360
1-[4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947565

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine (CID 102947322) is 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1OCc1ncc(Cl)n1C.
What is the InChIKey of 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is UHBXHHKBIQARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-9(17-2)11-5-4-10(15)6-12(11)20-8-14-18-7-13(16)19(14)3/h4-7,9,17H,8H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine?
1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 358.67 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 102947322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).