1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine

C12H17BrClN — CID 114981903

IUPAC1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)9-6-7-10(13)11(14)8-9/h6-8,12,15H,3-5H2,1-2H3
InChIKeyQFJGKBMGMJXWMB-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine

1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine (PubChem CID 114981903) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
PubChem CID114981903
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)9-6-7-10(13)11(14)8-9/h6-8,12,15H,3-5H2,1-2H3
InChIKeyQFJGKBMGMJXWMB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
1-(4-bromo-3-chlorophenyl)-N-ethylbut-3-yn-1-amine
CID 114977017
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995282
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
1-(4-bromo-3-chlorophenyl)undecylhydrazine
CID 105298371
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine (CID 114981903) is 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine?
The InChIKey is QFJGKBMGMJXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)9-6-7-10(13)11(14)8-9/h6-8,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine?
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine has a molecular weight of 290.63 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 114981903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).