1-(N-ethyl-2,4,5-trimethylanilino)ethenol

C13H19NO — CID 177233677

IUPAC1-(N-ethyl-2,4,5-trimethylanilino)ethenol
SMILESC=C(O)N(CC)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO/c1-6-14(12(5)15)13-8-10(3)9(2)7-11(13)4/h7-8,15H,5-6H2,1-4H3
InChIKeyZBERFMUCZSVJPP-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.47
Rot. Bonds3

About 1-(N-ethyl-2,4,5-trimethylanilino)ethenol

1-(N-ethyl-2,4,5-trimethylanilino)ethenol (PubChem CID 177233677) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(N-ethyl-2,4,5-trimethylanilino)ethenol.

Molecular Properties

Compound Name1-(N-ethyl-2,4,5-trimethylanilino)ethenol
PubChem CID177233677
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(N-ethyl-2,4,5-trimethylanilino)ethenol
SMILESC=C(O)N(CC)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO/c1-6-14(12(5)15)13-8-10(3)9(2)7-11(13)4/h7-8,15H,5-6H2,1-4H3
InChIKeyZBERFMUCZSVJPP-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-4,5-dimethylphenol
CID 19419378
ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
CID 166473604
N-(2,4-dimethylphenyl)-N-ethyl-2-methylpropanamide
CID 78853766
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
N-(3,3-dimethylbutyl)-N-hex-2-en-2-yl-2,4,5-trimethylaniline
CID 123550501
1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
N-ethyl-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 131859942
1-hex-1-en-2-yl-2,4,5-trimethylbenzene
CID 142349579
3-ethyl-1-sulfanyl-1-(2,4,5-trimethylphenyl)urea
CID 88791451
N-ethyl-4-[ethyl(methyl)amino]-2-hydroxy-N-(5-hydroxy-2-methyl-4-propanoylphenyl)-5-methylbenzamide
CID 166831097

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-2,4,5-trimethylanilino)ethenol?
The IUPAC name of 1-(N-ethyl-2,4,5-trimethylanilino)ethenol (CID 177233677) is 1-(N-ethyl-2,4,5-trimethylanilino)ethenol.
What is the SMILES notation for 1-(N-ethyl-2,4,5-trimethylanilino)ethenol?
The canonical SMILES for 1-(N-ethyl-2,4,5-trimethylanilino)ethenol is C=C(O)N(CC)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(N-ethyl-2,4,5-trimethylanilino)ethenol?
The InChIKey is ZBERFMUCZSVJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-14(12(5)15)13-8-10(3)9(2)7-11(13)4/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 1-(N-ethyl-2,4,5-trimethylanilino)ethenol?
1-(N-ethyl-2,4,5-trimethylanilino)ethenol has a molecular weight of 205.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-2,4,5-trimethylanilino)ethenol is sourced from PubChem (CID 177233677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).