4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline

C12H16BrCl2N — CID 28993156

IUPAC4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2N/c1-3-8(4-2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyRCQGBUSAMCQGMQ-UHFFFAOYSA-N
MW325.08 g/mol
LogP5.60
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline

4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline (PubChem CID 28993156) has the molecular formula C12H16BrCl2N and a molecular weight of 325.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
PubChem CID28993156
Molecular FormulaC12H16BrCl2N
Molecular Weight325.08 g/mol
Exact Mass322.98
IUPAC Name4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2N/c1-3-8(4-2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyRCQGBUSAMCQGMQ-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.08
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
CID 63686996
2,6-dichloro-N-(2-ethylbutyl)-4-nitroaniline
CID 106891704
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-bromo-2-chloro-N-(2-ethylhexyl)aniline
CID 63489227
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
CID 79361423

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline (CID 28993156) is 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline is CCC(CC)CNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline?
The InChIKey is RCQGBUSAMCQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrCl2N/c1-3-8(4-2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline?
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline has a molecular weight of 325.08 g/mol, XLogP of 5.60, 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-(2-ethylbutyl)aniline is sourced from PubChem (CID 28993156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).