1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol

C12H17Cl2NO — CID 114493258

IUPAC1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(2)12(3,16)7-15-11-9(13)5-4-6-10(11)14/h4-6,8,15-16H,7H2,1-3H3
InChIKeyUPIYAVBNHAYOKC-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.81
Rot. Bonds4

About 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol

1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol (PubChem CID 114493258) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
PubChem CID114493258
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(2)12(3,16)7-15-11-9(13)5-4-6-10(11)14/h4-6,8,15-16H,7H2,1-3H3
InChIKeyUPIYAVBNHAYOKC-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
CID 107606330
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120831
4-(2,6-dichloroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65467753
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
2,3-dimethyl-1-(3-methylsulfanylanilino)butan-2-ol
CID 114492485
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 130162610
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
CID 114492688
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol (CID 114493258) is 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is UPIYAVBNHAYOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(2)12(3,16)7-15-11-9(13)5-4-6-10(11)14/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol?
1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114493258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).