4-(3,5-dimethylanilino)-2-methylbutan-2-ol

C13H21NO — CID 79359580

IUPAC4-(3,5-dimethylanilino)-2-methylbutan-2-ol
SMILESCc1cc(C)cc(NCCC(C)(C)O)c1
InChIInChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)14-6-5-13(3,4)15/h7-9,14-15H,5-6H2,1-4H3
InChIKeyMUAGIQYJQXFJED-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds4

About 4-(3,5-dimethylanilino)-2-methylbutan-2-ol

4-(3,5-dimethylanilino)-2-methylbutan-2-ol (PubChem CID 79359580) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-2-methylbutan-2-ol
PubChem CID79359580
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(3,5-dimethylanilino)-2-methylbutan-2-ol
SMILESCc1cc(C)cc(NCCC(C)(C)O)c1
InChIInChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)14-6-5-13(3,4)15/h7-9,14-15H,5-6H2,1-4H3
InChIKeyMUAGIQYJQXFJED-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(3,5-dimethylanilino)-2-methylbutan-2-ol (CID 79359580) is 4-(3,5-dimethylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3,5-dimethylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3,5-dimethylanilino)-2-methylbutan-2-ol is Cc1cc(C)cc(NCCC(C)(C)O)c1.
What is the InChIKey of 4-(3,5-dimethylanilino)-2-methylbutan-2-ol?
The InChIKey is MUAGIQYJQXFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-11(2)9-12(8-10)14-6-5-13(3,4)15/h7-9,14-15H,5-6H2,1-4H3.
What are the key properties of 4-(3,5-dimethylanilino)-2-methylbutan-2-ol?
4-(3,5-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 4-(3,5-dimethylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 79359580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).