(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine

C15H16N2O2 — CID 24698943

IUPAC(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-15(17-18)13-3-5-14(6-4-13)19-11-12-7-9-16-10-8-12/h3-10,18H,2,11H2,1H3/b17-15+
InChIKeyWOFINKUJAJFYIV-BMRADRMJSA-N
MW256.31 g/mol
LogP3.25
Rot. Bonds5

About (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine

(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 24698943) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
PubChem CID24698943
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-15(17-18)13-3-5-14(6-4-13)19-11-12-7-9-16-10-8-12/h3-10,18H,2,11H2,1H3/b17-15+
InChIKeyWOFINKUJAJFYIV-BMRADRMJSA-N
XLogP3.25
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 82916047
3-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185656
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
CID 112589710
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 37133440
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine (CID 24698943) is (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine is CC/C(=N\O)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is WOFINKUJAJFYIV-BMRADRMJSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-15(17-18)13-3-5-14(6-4-13)19-11-12-7-9-16-10-8-12/h3-10,18H,2,11H2,1H3/b17-15+.
What are the key properties of (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 256.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 24698943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).