1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine

C12H17BrClN — CID 114981819

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyMSJMIGWVCMBBGH-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine

1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine (PubChem CID 114981819) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
PubChem CID114981819
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3
InChIKeyMSJMIGWVCMBBGH-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-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine
CID 82779873
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine (CID 114981819) is 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine?
The InChIKey is MSJMIGWVCMBBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h6-8,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine?
1-(4-bromo-2-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-2-chlorophenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 114981819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).