3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol

C11H15Cl2NO — CID 81413768

IUPAC3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-11(2,7-15)6-14-10-4-3-8(12)5-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyWRSSGRLGOLDONV-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.42
Rot. Bonds4

About 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol

3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol (PubChem CID 81413768) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
PubChem CID81413768
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-11(2,7-15)6-14-10-4-3-8(12)5-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyWRSSGRLGOLDONV-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81413950
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
CID 23104306
1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
CID 61472351
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047
3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
5-(2,4-dichloroanilino)-3,3-dimethyl-5-oxopentanoate
CID 4744778
3-[4-chloro-2-(5,6-dimethoxycyclohexa-1,5-dien-1-yl)anilino]-2,2-dimethylpropan-1-ol
CID 173309832
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol (CID 81413768) is 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is WRSSGRLGOLDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-11(2,7-15)6-14-10-4-3-8(12)5-9(10)13/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol?
3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81413768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).