4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol

C18H22N2O — CID 59073562

IUPAC4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol
SMILESC/C(=C\Nc1ccc(C)nc1C)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C18H22N2O/c1-11-8-16(9-12(2)18(11)21)13(3)10-19-17-7-6-14(4)20-15(17)5/h6-10,19,21H,1-5H3/b13-10+
InChIKeyBFQCSTHSFYZWLJ-JLHYYAGUSA-N
MW282.39 g/mol
LogP4.49
Rot. Bonds3

About 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol

4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol (PubChem CID 59073562) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol
PubChem CID59073562
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol
SMILESC/C(=C\Nc1ccc(C)nc1C)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C18H22N2O/c1-11-8-16(9-12(2)18(11)21)13(3)10-19-17-7-6-14(4)20-15(17)5/h6-10,19,21H,1-5H3/b13-10+
InChIKeyBFQCSTHSFYZWLJ-JLHYYAGUSA-N
XLogP4.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol (CID 59073562) is 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol is C/C(=C\Nc1ccc(C)nc1C)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol?
The InChIKey is BFQCSTHSFYZWLJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-8-16(9-12(2)18(11)21)13(3)10-19-17-7-6-14(4)20-15(17)5/h6-10,19,21H,1-5H3/b13-10+.
What are the key properties of 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol?
4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol has a molecular weight of 282.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[(2,6-dimethyl-3-pyridinyl)amino]prop-1-en-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 59073562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).