2-(5-tert-butyl-N,2-dimethylanilino)ethanol

C14H23NO — CID 115216089

IUPAC2-(5-tert-butyl-N,2-dimethylanilino)ethanol
SMILESCc1ccc(C(C)(C)C)cc1N(C)CCO
InChIInChI=1S/C14H23NO/c1-11-6-7-12(14(2,3)4)10-13(11)15(5)8-9-16/h6-7,10,16H,8-9H2,1-5H3
InChIKeyXBJPMNDMWQHXGM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-tert-butyl-N,2-dimethylanilino)ethanol

2-(5-tert-butyl-N,2-dimethylanilino)ethanol (PubChem CID 115216089) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(5-tert-butyl-N,2-dimethylanilino)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-N,2-dimethylanilino)ethanol
PubChem CID115216089
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(5-tert-butyl-N,2-dimethylanilino)ethanol
SMILESCc1ccc(C(C)(C)C)cc1N(C)CCO
InChIInChI=1S/C14H23NO/c1-11-6-7-12(14(2,3)4)10-13(11)15(5)8-9-16/h6-7,10,16H,8-9H2,1-5H3
InChIKeyXBJPMNDMWQHXGM-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-tert-butyl-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200470
N-(5-tert-butyl-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202418
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
2-amino-N-(5-tert-butyl-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179704
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
4-N-(5-tert-butyl-2-methylphenyl)-4-N-methylbenzene-1,4-diamine
CID 117041200
N-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139147
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-N,2-dimethylanilino)ethanol?
The IUPAC name of 2-(5-tert-butyl-N,2-dimethylanilino)ethanol (CID 115216089) is 2-(5-tert-butyl-N,2-dimethylanilino)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-N,2-dimethylanilino)ethanol?
The canonical SMILES for 2-(5-tert-butyl-N,2-dimethylanilino)ethanol is Cc1ccc(C(C)(C)C)cc1N(C)CCO.
What is the InChIKey of 2-(5-tert-butyl-N,2-dimethylanilino)ethanol?
The InChIKey is XBJPMNDMWQHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-6-7-12(14(2,3)4)10-13(11)15(5)8-9-16/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-N,2-dimethylanilino)ethanol?
2-(5-tert-butyl-N,2-dimethylanilino)ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-N,2-dimethylanilino)ethanol is sourced from PubChem (CID 115216089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).