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

C12H17BrClN — CID 115567637

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

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

1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine (PubChem CID 115567637) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
PubChem CID115567637
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)9-6-7-11(14)10(13)8-9/h6-8,12,15H,3-5H2,1-2H3
InChIKeyNVIPEBOHOKQVMZ-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-ethyloctan-1-amine
CID 115567420
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107988800
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105398979
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine (CID 115567637) is 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine?
The InChIKey is NVIPEBOHOKQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)9-6-7-11(14)10(13)8-9/h6-8,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine?
1-(3-bromo-4-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-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 115567637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).