1-(2,4-dimethylanilino)-2-methylbutan-2-ol

C13H21NO — CID 114492467

IUPAC1-(2,4-dimethylanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-5-13(4,15)9-14-12-7-6-10(2)8-11(12)3/h6-8,14-15H,5,9H2,1-4H3
InChIKeyLQWSSCSOKSNIQI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,4-dimethylanilino)-2-methylbutan-2-ol

1-(2,4-dimethylanilino)-2-methylbutan-2-ol (PubChem CID 114492467) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,4-dimethylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylanilino)-2-methylbutan-2-ol
PubChem CID114492467
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,4-dimethylanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-5-13(4,15)9-14-12-7-6-10(2)8-11(12)3/h6-8,14-15H,5,9H2,1-4H3
InChIKeyLQWSSCSOKSNIQI-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
CID 114493488
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357
2-methyl-1-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 65110504
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530
4-(2,2-dimethylbutylamino)-3-methylbenzoic acid
CID 103462028
2-(2,4-dimethylanilino)ethanethioamide
CID 82075991
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
1-(2-iodoanilino)-2-methylbutan-2-ol
CID 114492760
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,4-dimethylanilino)-2-methylbutan-2-ol (CID 114492467) is 1-(2,4-dimethylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,4-dimethylanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylanilino)-2-methylbutan-2-ol?
The InChIKey is LQWSSCSOKSNIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(4,15)9-14-12-7-6-10(2)8-11(12)3/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethylanilino)-2-methylbutan-2-ol?
1-(2,4-dimethylanilino)-2-methylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114492467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).