1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

C14H17BrClN3 — CID 105009485

IUPAC1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H17BrClN3/c1-3-19-7-6-18-14(19)9-13(17-2)10-4-5-11(15)12(16)8-10/h4-8,13,17H,3,9H2,1-2H3
InChIKeyNYZRAXPYABHENY-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.82
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine

1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 105009485) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID105009485
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1CC(NC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H17BrClN3/c1-3-19-7-6-18-14(19)9-13(17-2)10-4-5-11(15)12(16)8-10/h4-8,13,17H,3,9H2,1-2H3
InChIKeyNYZRAXPYABHENY-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253
1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009539
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009061
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
2-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105009117
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011510
[1-(6-chloro-3-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105253214
[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 114027386

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 105009485) is 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is CCn1ccnc1CC(NC)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is NYZRAXPYABHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-3-19-7-6-18-14(19)9-13(17-2)10-4-5-11(15)12(16)8-10/h4-8,13,17H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine?
1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 342.67 g/mol, XLogP of 3.82, 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-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 105009485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).