1-(2,5-dichloro-4-methylanilino)butan-2-ol

C11H15Cl2NO — CID 104726754

IUPAC1-(2,5-dichloro-4-methylanilino)butan-2-ol
SMILESCCC(O)CNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-3-8(15)6-14-11-5-9(12)7(2)4-10(11)13/h4-5,8,14-15H,3,6H2,1-2H3
InChIKeyMOTAJPJVVKHRJA-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,5-dichloro-4-methylanilino)butan-2-ol

1-(2,5-dichloro-4-methylanilino)butan-2-ol (PubChem CID 104726754) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylanilino)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylanilino)butan-2-ol
PubChem CID104726754
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,5-dichloro-4-methylanilino)butan-2-ol
SMILESCCC(O)CNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-3-8(15)6-14-11-5-9(12)7(2)4-10(11)13/h4-5,8,14-15H,3,6H2,1-2H3
InChIKeyMOTAJPJVVKHRJA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104726864
4-chloro-5-[(3-chloro-2-hydroxypropyl)amino]-2-methylphenol
CID 168640862
1-(2-bromo-5-chloro-4-methylanilino)-3-ethoxypropan-2-ol
CID 113445450
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442697
methyl 2-bromo-3-(2,5-dichloro-4-methylanilino)propanoate
CID 103265018
1-(2-chloro-4-fluoro-5-methylanilino)-3-(dimethylamino)propan-2-ol
CID 112734648
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylanilino)butan-2-ol?
The IUPAC name of 1-(2,5-dichloro-4-methylanilino)butan-2-ol (CID 104726754) is 1-(2,5-dichloro-4-methylanilino)butan-2-ol.
What is the SMILES notation for 1-(2,5-dichloro-4-methylanilino)butan-2-ol?
The canonical SMILES for 1-(2,5-dichloro-4-methylanilino)butan-2-ol is CCC(O)CNc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methylanilino)butan-2-ol?
The InChIKey is MOTAJPJVVKHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-8(15)6-14-11-5-9(12)7(2)4-10(11)13/h4-5,8,14-15H,3,6H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-methylanilino)butan-2-ol?
1-(2,5-dichloro-4-methylanilino)butan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylanilino)butan-2-ol is sourced from PubChem (CID 104726754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).