N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine

C16H18N2O2 — CID 76991199

IUPACN-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OCCc1cccnc1
InChIInChI=1S/C16H18N2O2/c1-12-5-6-16(15(10-12)13(2)18-19)20-9-7-14-4-3-8-17-11-14/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeyZFOSZIZYBLNOLC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.21
Rot. Bonds5

About N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine

N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 76991199) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID76991199
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OCCc1cccnc1
InChIInChI=1S/C16H18N2O2/c1-12-5-6-16(15(10-12)13(2)18-19)20-9-7-14-4-3-8-17-11-14/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeyZFOSZIZYBLNOLC-UHFFFAOYSA-N
XLogP3.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.21
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

3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
CID 63651512
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 79169387
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
(NE)-N-[1-[5-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725527
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine (CID 76991199) is N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine is CC(=NO)c1cc(C)ccc1OCCc1cccnc1.
What is the InChIKey of N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is ZFOSZIZYBLNOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-5-6-16(15(10-12)13(2)18-19)20-9-7-14-4-3-8-17-11-14/h3-6,8,10-11,19H,7,9H2,1-2H3.
What are the key properties of N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine?
N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 270.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 76991199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).