N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine

C14H14N2O2 — CID 123279299

IUPACN-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine
SMILESON=CCc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C14H14N2O2/c17-16-9-8-12-6-7-14(15-10-12)18-11-13-4-2-1-3-5-13/h1-7,9-10,17H,8,11H2
InChIKeyTUSKTPOICSLOFZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine

N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine (PubChem CID 123279299) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine
PubChem CID123279299
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine
SMILESON=CCc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C14H14N2O2/c17-16-9-8-12-6-7-14(15-10-12)18-11-13-4-2-1-3-5-13/h1-7,9-10,17H,8,11H2
InChIKeyTUSKTPOICSLOFZ-UHFFFAOYSA-N
XLogP2.66
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.66
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'}

Analyze N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine (CID 123279299) is N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine is ON=CCc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine?
The InChIKey is TUSKTPOICSLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-16-9-8-12-6-7-14(15-10-12)18-11-13-4-2-1-3-5-13/h1-7,9-10,17H,8,11H2.
What are the key properties of N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine?
N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine has a molecular weight of 242.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine is sourced from PubChem (CID 123279299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).