N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine

C15H16N2O2 — CID 173145448

IUPACN-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine
SMILESCc1cccc(OCc2ccc(CC=NO)cc2)n1
InChIInChI=1S/C15H16N2O2/c1-12-3-2-4-15(17-12)19-11-14-7-5-13(6-8-14)9-10-16-18/h2-8,10,18H,9,11H2,1H3
InChIKeyCIZUCXREAIGYPY-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine

N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine (PubChem CID 173145448) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine
PubChem CID173145448
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine
SMILESCc1cccc(OCc2ccc(CC=NO)cc2)n1
InChIInChI=1S/C15H16N2O2/c1-12-3-2-4-15(17-12)19-11-14-7-5-13(6-8-14)9-10-16-18/h2-8,10,18H,9,11H2,1H3
InChIKeyCIZUCXREAIGYPY-UHFFFAOYSA-N
XLogP2.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine (CID 173145448) is N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine is Cc1cccc(OCc2ccc(CC=NO)cc2)n1.
What is the InChIKey of N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine?
The InChIKey is CIZUCXREAIGYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12-3-2-4-15(17-12)19-11-14-7-5-13(6-8-14)9-10-16-18/h2-8,10,18H,9,11H2,1H3.
What are the key properties of N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine?
N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine has a molecular weight of 256.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 173145448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).