1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C15H20BrN3O — CID 105049845

IUPAC1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1ccc(Br)cc1OC
InChIInChI=1S/C15H20BrN3O/c1-17-13(6-7-15-18-8-9-19(15)2)12-5-4-11(16)10-14(12)20-3/h4-5,8-10,13,17H,6-7H2,1-3H3
InChIKeyXSBPCZWQPKXKJQ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105049845) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105049845
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1ccc(Br)cc1OC
InChIInChI=1S/C15H20BrN3O/c1-17-13(6-7-15-18-8-9-19(15)2)12-5-4-11(16)10-14(12)20-3/h4-5,8-10,13,17H,6-7H2,1-3H3
InChIKeyXSBPCZWQPKXKJQ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012339
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
[1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
1-[4-bromo-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947321
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
1-(6-methoxypyrimidin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102950952
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 78988023
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849428
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105049845) is 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCc1nccn1C)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is XSBPCZWQPKXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-17-13(6-7-15-18-8-9-19(15)2)12-5-4-11(16)10-14(12)20-3/h4-5,8-10,13,17H,6-7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 3.08, 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-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105049845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).