(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine

C10H13NO2 — CID 20711802

IUPAC(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
SMILESCOC(C)c1ccccc1/C=N/O
InChIInChI=1S/C10H13NO2/c1-8(13-2)10-6-4-3-5-9(10)7-11-12/h3-8,12H,1-2H3/b11-7+
InChIKeyJPHXAPBEURNJED-YRNVUSSQSA-N
MW179.22 g/mol
LogP2.20
Rot. Bonds3

About (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine (PubChem CID 20711802) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
PubChem CID20711802
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
SMILESCOC(C)c1ccccc1/C=N/O
InChIInChI=1S/C10H13NO2/c1-8(13-2)10-6-4-3-5-9(10)7-11-12/h3-8,12H,1-2H3/b11-7+
InChIKeyJPHXAPBEURNJED-YRNVUSSQSA-N
XLogP2.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
CID 87619875
(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine
CID 20711809
[2-(1-methoxyethyl)phenyl]methanimine
CID 20711806
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
CID 171870342
1-[2-(1-methoxyethyl)phenyl]ethanone
CID 86011616
3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
CID 170828149
3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
CID 171899286
CID 174469146
CID 174469146
N-[2-(1-methoxyethyl)phenyl]acetamide
CID 56609404
2-[2-(1-methoxyethyl)phenyl]propan-1-ol
CID 117113507
4-bromo-1-[2-(hydroxyiminomethyl)phenyl]butane-1,2-diol
CID 171892121

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine (CID 20711802) is (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine is COC(C)c1ccccc1/C=N/O.
What is the InChIKey of (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is JPHXAPBEURNJED-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(13-2)10-6-4-3-5-9(10)7-11-12/h3-8,12H,1-2H3/b11-7+.
What are the key properties of (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20711802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).