3-(3,4-dichloroanilino)-2-methylbutan-2-ol

C11H15Cl2NO — CID 65333174

IUPAC3-(3,4-dichloroanilino)-2-methylbutan-2-ol
SMILESCC(Nc1ccc(Cl)c(Cl)c1)C(C)(C)O
InChIInChI=1S/C11H15Cl2NO/c1-7(11(2,3)15)14-8-4-5-9(12)10(13)6-8/h4-7,14-15H,1-3H3
InChIKeySQZQZBDWZXPTLO-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.56
Rot. Bonds3

About 3-(3,4-dichloroanilino)-2-methylbutan-2-ol

3-(3,4-dichloroanilino)-2-methylbutan-2-ol (PubChem CID 65333174) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-2-methylbutan-2-ol
PubChem CID65333174
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(3,4-dichloroanilino)-2-methylbutan-2-ol
SMILESCC(Nc1ccc(Cl)c(Cl)c1)C(C)(C)O
InChIInChI=1S/C11H15Cl2NO/c1-7(11(2,3)15)14-8-4-5-9(12)10(13)6-8/h4-7,14-15H,1-3H3
InChIKeySQZQZBDWZXPTLO-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-4-(dimethylamino)anilino]-2-methylbutan-2-ol
CID 65338206
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
CID 107700569
3-(5-bromo-2-chloroanilino)-2-methylbutan-2-ol
CID 65338217
2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
CID 65332741
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
4-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 65332857
6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 65337980
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(3,4-dichloroanilino)-2-methylbutan-2-ol (CID 65333174) is 3-(3,4-dichloroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(3,4-dichloroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(3,4-dichloroanilino)-2-methylbutan-2-ol is CC(Nc1ccc(Cl)c(Cl)c1)C(C)(C)O.
What is the InChIKey of 3-(3,4-dichloroanilino)-2-methylbutan-2-ol?
The InChIKey is SQZQZBDWZXPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(11(2,3)15)14-8-4-5-9(12)10(13)6-8/h4-7,14-15H,1-3H3.
What are the key properties of 3-(3,4-dichloroanilino)-2-methylbutan-2-ol?
3-(3,4-dichloroanilino)-2-methylbutan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 65333174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).