4-bromo-2,6-dichloro-N-pentylaniline

C11H14BrCl2N — CID 28992958

IUPAC4-bromo-2,6-dichloro-N-pentylaniline
SMILESCCCCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2N/c1-2-3-4-5-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeyAGJFOUZOTTTWDZ-UHFFFAOYSA-N
MW311.05 g/mol
LogP5.36
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-pentylaniline

4-bromo-2,6-dichloro-N-pentylaniline (PubChem CID 28992958) has the molecular formula C11H14BrCl2N and a molecular weight of 311.05 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-pentylaniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-pentylaniline
PubChem CID28992958
Molecular FormulaC11H14BrCl2N
Molecular Weight311.05 g/mol
Exact Mass308.97
IUPAC Name4-bromo-2,6-dichloro-N-pentylaniline
SMILESCCCCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2N/c1-2-3-4-5-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeyAGJFOUZOTTTWDZ-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.05
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
CID 113326312
4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
CID 79361423
4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
N-butyl-3,5-dichloropyridin-4-amine
CID 119088250
methyl 3,5-dibromo-2-(hexylamino)benzoate
CID 63451536
2,6-dibromo-N-decylaniline
CID 107599083
2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
2-chloro-N-dodecyl-6-methylaniline
CID 66252343

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-pentylaniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-pentylaniline (CID 28992958) is 4-bromo-2,6-dichloro-N-pentylaniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-pentylaniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-pentylaniline is CCCCCNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-pentylaniline?
The InChIKey is AGJFOUZOTTTWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2N/c1-2-3-4-5-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-pentylaniline?
4-bromo-2,6-dichloro-N-pentylaniline has a molecular weight of 311.05 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-pentylaniline is sourced from PubChem (CID 28992958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).