(NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine

C12H17NO2 — CID 6891479

IUPAC(NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine
SMILESCOCc1c(C)cc(C)c(/C=N/O)c1C
InChIInChI=1S/C12H17NO2/c1-8-5-9(2)12(7-15-4)10(3)11(8)6-13-14/h5-6,14H,7H2,1-4H3/b13-6+
InChIKeyHCBLOYKLVUIIJX-AWNIVKPZSA-N
MW207.27 g/mol
LogP2.57
Rot. Bonds3

About (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine

(NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine (PubChem CID 6891479) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine
PubChem CID6891479
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine
SMILESCOCc1c(C)cc(C)c(/C=N/O)c1C
InChIInChI=1S/C12H17NO2/c1-8-5-9(2)12(7-15-4)10(3)11(8)6-13-14/h5-6,14H,7H2,1-4H3/b13-6+
InChIKeyHCBLOYKLVUIIJX-AWNIVKPZSA-N
XLogP2.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.57
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'}

Analyze (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]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 (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine (CID 6891479) is (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine is COCc1c(C)cc(C)c(/C=N/O)c1C.
What is the InChIKey of (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
The InChIKey is HCBLOYKLVUIIJX-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-9(2)12(7-15-4)10(3)11(8)6-13-14/h5-6,14H,7H2,1-4H3/b13-6+.
What are the key properties of (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
(NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine has a molecular weight of 207.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(methoxymethyl)-2,4,6-trimethylphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6891479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).