1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine

C17H24BrN3 — CID 105012207

IUPAC1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)c1ccc(Br)cc1C
InChIInChI=1S/C17H24BrN3/c1-4-9-21-10-8-20-17(21)12-16(19-5-2)15-7-6-14(18)11-13(15)3/h6-8,10-11,16,19H,4-5,9,12H2,1-3H3
InChIKeyGJRXNTDISCYBCO-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.26
Rot. Bonds7

About 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012207) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012207
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)c1ccc(Br)cc1C
InChIInChI=1S/C17H24BrN3/c1-4-9-21-10-8-20-17(21)12-16(19-5-2)15-7-6-14(18)11-13(15)3/h6-8,10-11,16,19H,4-5,9,12H2,1-3H3
InChIKeyGJRXNTDISCYBCO-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002922
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012339
1-(5-bromofuran-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012510
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012426
[1-(2-bromo-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323345
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (CID 105012207) is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NCC)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is GJRXNTDISCYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-9-21-10-8-20-17(21)12-16(19-5-2)15-7-6-14(18)11-13(15)3/h6-8,10-11,16,19H,4-5,9,12H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 350.30 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).