1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C16H22BrN3O — CID 105012339

IUPAC1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(Br)cc1OC
InChIInChI=1S/C16H22BrN3O/c1-4-8-20-9-7-19-16(20)11-14(18-2)13-6-5-12(17)10-15(13)21-3/h5-7,9-10,14,18H,4,8,11H2,1-3H3
InChIKeyFEHALFPWGHPMFL-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.57
Rot. Bonds7

About 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012339) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012339
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(Br)cc1OC
InChIInChI=1S/C16H22BrN3O/c1-4-8-20-9-7-19-16(20)11-14(18-2)13-6-5-12(17)10-15(13)21-3/h5-7,9-10,14,18H,4,8,11H2,1-3H3
InChIKeyFEHALFPWGHPMFL-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990055
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
[1-(2-bromo-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323345
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 105012339) is 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is FEHALFPWGHPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-8-20-9-7-19-16(20)11-14(18-2)13-6-5-12(17)10-15(13)21-3/h5-7,9-10,14,18H,4,8,11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.57, 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-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).