(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine

C10H13NO3 — CID 23722991

IUPAC(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1c(/C=N/O)cccc1OC
InChIInChI=1S/C10H13NO3/c1-3-14-10-8(7-11-12)5-4-6-9(10)13-2/h4-7,12H,3H2,1-2H3/b11-7+
InChIKeyFXUOZUMZNHTMTJ-YRNVUSSQSA-N
MW195.22 g/mol
LogP1.90
Rot. Bonds4

About (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 23722991) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
PubChem CID23722991
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1c(/C=N/O)cccc1OC
InChIInChI=1S/C10H13NO3/c1-3-14-10-8(7-11-12)5-4-6-9(10)13-2/h4-7,12H,3H2,1-2H3/b11-7+
InChIKeyFXUOZUMZNHTMTJ-YRNVUSSQSA-N
XLogP1.90
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.90
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

(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 10104391
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
ethyl (E)-4-[2-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]but-2-enoate
CID 87768726
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid
CID 110507010

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine (CID 23722991) is (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine is CCOc1c(/C=N/O)cccc1OC.
What is the InChIKey of (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is FXUOZUMZNHTMTJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-10-8(7-11-12)5-4-6-9(10)13-2/h4-7,12H,3H2,1-2H3/b11-7+.
What are the key properties of (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 195.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 23722991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).