5-bromo-2-chloro-N-heptan-4-ylaniline

C13H19BrClN — CID 63478782

IUPAC5-bromo-2-chloro-N-heptan-4-ylaniline
SMILESCCCC(CCC)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H19BrClN/c1-3-5-11(6-4-2)16-13-9-10(14)7-8-12(13)15/h7-9,11,16H,3-6H2,1-2H3
InChIKeyAEFWBYDBCXOCSF-UHFFFAOYSA-N
MW304.66 g/mol
LogP5.48
Rot. Bonds6

About 5-bromo-2-chloro-N-heptan-4-ylaniline

5-bromo-2-chloro-N-heptan-4-ylaniline (PubChem CID 63478782) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-heptan-4-ylaniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-heptan-4-ylaniline
PubChem CID63478782
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name5-bromo-2-chloro-N-heptan-4-ylaniline
SMILESCCCC(CCC)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H19BrClN/c1-3-5-11(6-4-2)16-13-9-10(14)7-8-12(13)15/h7-9,11,16H,3-6H2,1-2H3
InChIKeyAEFWBYDBCXOCSF-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.66
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-chloroanilino)pentanenitrile
CID 62915038
4-bromo-2-fluoro-N-heptan-4-ylaniline
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2-chloro-N-heptan-4-ylaniline
CID 29274819
2-bromo-5-chloro-N-heptan-4-ylaniline
CID 81264426
2-chloro-N-hexan-3-ylaniline
CID 91251146
3-(5-bromo-2-chloroanilino)-2-methylbutan-2-ol
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N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
CID 82773338
4-bromo-2-methyl-N-undecan-6-ylaniline
CID 63419193
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
N-[(4-bromo-2-chlorophenyl)methyl]octan-4-amine
CID 114138050
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(5-bromo-2-chlorophenyl)-3-propylthiourea
CID 115606348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-heptan-4-ylaniline?
The IUPAC name of 5-bromo-2-chloro-N-heptan-4-ylaniline (CID 63478782) is 5-bromo-2-chloro-N-heptan-4-ylaniline.
What is the SMILES notation for 5-bromo-2-chloro-N-heptan-4-ylaniline?
The canonical SMILES for 5-bromo-2-chloro-N-heptan-4-ylaniline is CCCC(CCC)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-heptan-4-ylaniline?
The InChIKey is AEFWBYDBCXOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-3-5-11(6-4-2)16-13-9-10(14)7-8-12(13)15/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-heptan-4-ylaniline?
5-bromo-2-chloro-N-heptan-4-ylaniline has a molecular weight of 304.66 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-heptan-4-ylaniline is sourced from PubChem (CID 63478782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).