1-(2,6-diethylanilino)-2-methylbutan-2-ol

C15H25NO — CID 114493054

IUPAC1-(2,6-diethylanilino)-2-methylbutan-2-ol
SMILESCCc1cccc(CC)c1NCC(C)(O)CC
InChIInChI=1S/C15H25NO/c1-5-12-9-8-10-13(6-2)14(12)16-11-15(4,17)7-3/h8-10,16-17H,5-7,11H2,1-4H3
InChIKeyHZEVMRZBZQXOAP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,6-diethylanilino)-2-methylbutan-2-ol

1-(2,6-diethylanilino)-2-methylbutan-2-ol (PubChem CID 114493054) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,6-diethylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,6-diethylanilino)-2-methylbutan-2-ol
PubChem CID114493054
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,6-diethylanilino)-2-methylbutan-2-ol
SMILESCCc1cccc(CC)c1NCC(C)(O)CC
InChIInChI=1S/C15H25NO/c1-5-12-9-8-10-13(6-2)14(12)16-11-15(4,17)7-3/h8-10,16-17H,5-7,11H2,1-4H3
InChIKeyHZEVMRZBZQXOAP-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-2-hydroxy-2-methylbutyl]amino]benzene-1,3-dicarbonitrile
CID 99778375
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 65106384
2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol
CID 80842101
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530
2-(2,6-diethylanilino)acetohydrazide
CID 13014243
1-(2-iodoanilino)-2-methylbutan-2-ol
CID 114492760

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,6-diethylanilino)-2-methylbutan-2-ol (CID 114493054) is 1-(2,6-diethylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,6-diethylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,6-diethylanilino)-2-methylbutan-2-ol is CCc1cccc(CC)c1NCC(C)(O)CC.
What is the InChIKey of 1-(2,6-diethylanilino)-2-methylbutan-2-ol?
The InChIKey is HZEVMRZBZQXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12-9-8-10-13(6-2)14(12)16-11-15(4,17)7-3/h8-10,16-17H,5-7,11H2,1-4H3.
What are the key properties of 1-(2,6-diethylanilino)-2-methylbutan-2-ol?
1-(2,6-diethylanilino)-2-methylbutan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114493054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).