1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine

C13H19BrClN — CID 107994549

IUPAC1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1ccc(Cl)cc1Br)C(C)CC
InChIInChI=1S/C13H19BrClN/c1-4-9(3)13(16-5-2)11-7-6-10(15)8-12(11)14/h6-9,13,16H,4-5H2,1-3H3
InChIKeyGPKVHXUSAZHQPB-UHFFFAOYSA-N
MW304.66 g/mol
LogP4.80
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine

1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 107994549) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID107994549
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1ccc(Cl)cc1Br)C(C)CC
InChIInChI=1S/C13H19BrClN/c1-4-9(3)13(16-5-2)11-7-6-10(15)8-12(11)14/h6-9,13,16H,4-5H2,1-3H3
InChIKeyGPKVHXUSAZHQPB-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(2-bromophenyl)-N-ethyl-2-methylbutan-1-amine
CID 79445957
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017361
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-2-methylbutan-1-amine
CID 43492661
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017296
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
1-(2-bromo-4-chlorophenyl)-N-ethylpent-4-yn-1-amine
CID 107993261
N-[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992938
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 105017381
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine (CID 107994549) is 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine is CCNC(c1ccc(Cl)cc1Br)C(C)CC.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is GPKVHXUSAZHQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-4-9(3)13(16-5-2)11-7-6-10(15)8-12(11)14/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine?
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 304.66 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 107994549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).