2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol

C15H23NO — CID 71047580

IUPAC2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
SMILESCC/C(C)=C/c1ccc(N(CC)CCO)cc1
InChIInChI=1S/C15H23NO/c1-4-13(3)12-14-6-8-15(9-7-14)16(5-2)10-11-17/h6-9,12,17H,4-5,10-11H2,1-3H3/b13-12+
InChIKeyHRQUWGOVBQCHMD-OUKQBFOZSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds6

About 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol

2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol (PubChem CID 71047580) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
PubChem CID71047580
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
SMILESCC/C(C)=C/c1ccc(N(CC)CCO)cc1
InChIInChI=1S/C15H23NO/c1-4-13(3)12-14-6-8-15(9-7-14)16(5-2)10-11-17/h6-9,12,17H,4-5,10-11H2,1-3H3/b13-12+
InChIKeyHRQUWGOVBQCHMD-OUKQBFOZSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
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-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol (CID 71047580) is 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol is CC/C(C)=C/c1ccc(N(CC)CCO)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol?
The InChIKey is HRQUWGOVBQCHMD-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-13(3)12-14-6-8-15(9-7-14)16(5-2)10-11-17/h6-9,12,17H,4-5,10-11H2,1-3H3/b13-12+.
What are the key properties of 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol?
2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol has a molecular weight of 233.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol is sourced from PubChem (CID 71047580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).