4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol

C11H14BrCl2NO — CID 79361423

IUPAC4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO/c1-11(2,16)3-4-15-10-8(13)5-7(12)6-9(10)14/h5-6,15-16H,3-4H2,1-2H3
InChIKeySOZXMJZZMPMEIM-UHFFFAOYSA-N
MW327.05 g/mol
LogP4.33
Rot. Bonds4

About 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol

4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol (PubChem CID 79361423) has the molecular formula C11H14BrCl2NO and a molecular weight of 327.05 g/mol. Its IUPAC name is 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
PubChem CID79361423
Molecular FormulaC11H14BrCl2NO
Molecular Weight327.05 g/mol
Exact Mass324.96
IUPAC Name4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO/c1-11(2,16)3-4-15-10-8(13)5-7(12)6-9(10)14/h5-6,15-16H,3-4H2,1-2H3
InChIKeySOZXMJZZMPMEIM-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.05
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
CID 113326312
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-(4-bromo-2,6-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302251
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451560
4-(3,5-dimethylanilino)-2-methylbutan-2-ol
CID 79359580
4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 114014994
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol (CID 79361423) is 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol is CC(C)(O)CCNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol?
The InChIKey is SOZXMJZZMPMEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO/c1-11(2,16)3-4-15-10-8(13)5-7(12)6-9(10)14/h5-6,15-16H,3-4H2,1-2H3.
What are the key properties of 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol?
4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol has a molecular weight of 327.05 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 79361423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).