1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C16H22BrN3 — CID 114330209

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H22BrN3/c1-4-6-20-7-5-19-15(20)10-14(18)13-8-11(2)16(17)12(3)9-13/h5,7-9,14H,4,6,10,18H2,1-3H3
InChIKeyMDOXSDTVXWCBJK-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 114330209) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID114330209
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H22BrN3/c1-4-6-20-7-5-19-15(20)10-14(18)13-8-11(2)16(17)12(3)9-13/h5,7-9,14H,4,6,10,18H2,1-3H3
InChIKeyMDOXSDTVXWCBJK-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012264
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 114330209) is 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is MDOXSDTVXWCBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-6-20-7-5-19-15(20)10-14(18)13-8-11(2)16(17)12(3)9-13/h5,7-9,14H,4,6,10,18H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 114330209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).