N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine

C15H15NO3 — CID 154085721

IUPACN-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
SMILESCOc1cccc(C(=NO)c2ccccc2)c1OC
InChIInChI=1S/C15H15NO3/c1-18-13-10-6-9-12(15(13)19-2)14(16-17)11-7-4-3-5-8-11/h3-10,17H,1-2H3
InChIKeyQDMHYAHHDMWOOI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.93
Rot. Bonds4

About N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine

N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine (PubChem CID 154085721) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
PubChem CID154085721
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
SMILESCOc1cccc(C(=NO)c2ccccc2)c1OC
InChIInChI=1S/C15H15NO3/c1-18-13-10-6-9-12(15(13)19-2)14(16-17)11-7-4-3-5-8-11/h3-10,17H,1-2H3
InChIKeyQDMHYAHHDMWOOI-UHFFFAOYSA-N
XLogP2.93
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.93
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-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline
CID 57264316
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 11209917
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
phenol;1,2,3-trimethoxybenzene
CID 174871155
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
2,3-dimethoxybenzamide;hydrate
CID 141005510
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine (CID 154085721) is N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine is COc1cccc(C(=NO)c2ccccc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is QDMHYAHHDMWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-13-10-6-9-12(15(13)19-2)14(16-17)11-7-4-3-5-8-11/h3-10,17H,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine?
N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 257.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 154085721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).