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

C13H19BrClN — CID 81264426

IUPAC2-bromo-5-chloro-N-heptan-4-ylaniline
SMILESCCCC(CCC)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H19BrClN/c1-3-5-11(6-4-2)16-13-9-10(15)7-8-12(13)14/h7-9,11,16H,3-6H2,1-2H3
InChIKeyKBHWXCYJEHEXPF-UHFFFAOYSA-N
MW304.66 g/mol
LogP5.48
Rot. Bonds6

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

2-bromo-5-chloro-N-heptan-4-ylaniline (PubChem CID 81264426) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-heptan-4-ylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-heptan-4-ylaniline
PubChem CID81264426
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name2-bromo-5-chloro-N-heptan-4-ylaniline
SMILESCCCC(CCC)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H19BrClN/c1-3-5-11(6-4-2)16-13-9-10(15)7-8-12(13)14/h7-9,11,16H,3-6H2,1-2H3
InChIKeyKBHWXCYJEHEXPF-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

2-bromo-5-chloro-N-undecan-6-ylaniline
CID 81264421
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
5-bromo-2-chloro-N-heptan-4-ylaniline
CID 63478782
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
4-chloro-2-(octan-4-ylamino)benzonitrile
CID 106024537
4-bromo-2,5-difluoro-N-heptan-4-ylaniline
CID 107609941
2-bromo-N-[1-(4-butylphenyl)ethyl]-5-chloroaniline
CID 81269540
4-bromo-2-fluoro-N-heptan-4-ylaniline
CID 28517550
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555
2-chloro-N-heptan-4-ylaniline
CID 29274819
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-heptan-4-ylaniline?
The IUPAC name of 2-bromo-5-chloro-N-heptan-4-ylaniline (CID 81264426) is 2-bromo-5-chloro-N-heptan-4-ylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-heptan-4-ylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-heptan-4-ylaniline is CCCC(CCC)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-heptan-4-ylaniline?
The InChIKey is KBHWXCYJEHEXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-3-5-11(6-4-2)16-13-9-10(15)7-8-12(13)14/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-heptan-4-ylaniline?
2-bromo-5-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 2-bromo-5-chloro-N-heptan-4-ylaniline is sourced from PubChem (CID 81264426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).