2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol

C11H14Cl3NO — CID 65332741

IUPAC2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)C(C)(C)O
InChIInChI=1S/C11H14Cl3NO/c1-6(11(2,3)16)15-10-8(13)4-7(12)5-9(10)14/h4-6,15-16H,1-3H3
InChIKeyIFYPQAQIYKSMJC-UHFFFAOYSA-N
MW282.60 g/mol
LogP4.22
Rot. Bonds3

About 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol

2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol (PubChem CID 65332741) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
PubChem CID65332741
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)C(C)(C)O
InChIInChI=1S/C11H14Cl3NO/c1-6(11(2,3)16)15-10-8(13)4-7(12)5-9(10)14/h4-6,15-16H,1-3H3
InChIKeyIFYPQAQIYKSMJC-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65333189
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
3-(4-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65337978
3-(2-chloro-4-fluoroanilino)-2-methylbutan-2-ol
CID 65332798
3-(5-bromo-2-chloroanilino)-2-methylbutan-2-ol
CID 65338217
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
3-[3-chloro-4-(dimethylamino)anilino]-2-methylbutan-2-ol
CID 65338206
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
tert-butyl N-[2-(2,4,6-trichloroanilino)propyl]carbamate
CID 103387727
2,4,6-trichloro-N-[chloro-(2,4,6-trichlorophenyl)methyl]aniline
CID 174433894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol?
The IUPAC name of 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol (CID 65332741) is 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol is CC(Nc1c(Cl)cc(Cl)cc1Cl)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol?
The InChIKey is IFYPQAQIYKSMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO/c1-6(11(2,3)16)15-10-8(13)4-7(12)5-9(10)14/h4-6,15-16H,1-3H3.
What are the key properties of 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol?
2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol has a molecular weight of 282.60 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol is sourced from PubChem (CID 65332741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).