N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine

C14H19NO3 — CID 77013728

IUPACN-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OC1CCOCC1
InChIInChI=1S/C14H19NO3/c1-10-3-4-14(13(9-10)11(2)15-16)18-12-5-7-17-8-6-12/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyFPNIZBLFSJUTCY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.75
Rot. Bonds3

About N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine

N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine (PubChem CID 77013728) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
PubChem CID77013728
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OC1CCOCC1
InChIInChI=1S/C14H19NO3/c1-10-3-4-14(13(9-10)11(2)15-16)18-12-5-7-17-8-6-12/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyFPNIZBLFSJUTCY-UHFFFAOYSA-N
XLogP2.75
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.75
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-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77052870
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
CID 160524221
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine (CID 77013728) is N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine is CC(=NO)c1cc(C)ccc1OC1CCOCC1.
What is the InChIKey of N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is FPNIZBLFSJUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-3-4-14(13(9-10)11(2)15-16)18-12-5-7-17-8-6-12/h3-4,9,12,16H,5-8H2,1-2H3.
What are the key properties of N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine?
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 2.75, 3 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-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77013728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).