2-(4-ethenyl-N-ethylanilino)ethanol

C12H17NO — CID 69380669

IUPAC2-(4-ethenyl-N-ethylanilino)ethanol
SMILESC=Cc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C12H17NO/c1-3-11-5-7-12(8-6-11)13(4-2)9-10-14/h3,5-8,14H,1,4,9-10H2,2H3
InChIKeyCDTAECWXIVMOEL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-ethenyl-N-ethylanilino)ethanol

2-(4-ethenyl-N-ethylanilino)ethanol (PubChem CID 69380669) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-ethenyl-N-ethylanilino)ethanol.

Molecular Properties

Compound Name2-(4-ethenyl-N-ethylanilino)ethanol
PubChem CID69380669
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-ethenyl-N-ethylanilino)ethanol
SMILESC=Cc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C12H17NO/c1-3-11-5-7-12(8-6-11)13(4-2)9-10-14/h3,5-8,14H,1,4,9-10H2,2H3
InChIKeyCDTAECWXIVMOEL-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-N-ethylanilino)ethanol?
The IUPAC name of 2-(4-ethenyl-N-ethylanilino)ethanol (CID 69380669) is 2-(4-ethenyl-N-ethylanilino)ethanol.
What is the SMILES notation for 2-(4-ethenyl-N-ethylanilino)ethanol?
The canonical SMILES for 2-(4-ethenyl-N-ethylanilino)ethanol is C=Cc1ccc(N(CC)CCO)cc1.
What is the InChIKey of 2-(4-ethenyl-N-ethylanilino)ethanol?
The InChIKey is CDTAECWXIVMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11-5-7-12(8-6-11)13(4-2)9-10-14/h3,5-8,14H,1,4,9-10H2,2H3.
What are the key properties of 2-(4-ethenyl-N-ethylanilino)ethanol?
2-(4-ethenyl-N-ethylanilino)ethanol has a molecular weight of 191.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-N-ethylanilino)ethanol is sourced from PubChem (CID 69380669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).