N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine

C16H17NO3 — CID 88635833

IUPACN-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(17-18)14-9-8-13(19-2)10-15(14)20-3/h4-10,18H,1-3H3
InChIKeyUOJJPZILNNZWKD-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.24
Rot. Bonds4

About N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine

N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine (PubChem CID 88635833) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
PubChem CID88635833
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(17-18)14-9-8-13(19-2)10-15(14)20-3/h4-10,18H,1-3H3
InChIKeyUOJJPZILNNZWKD-UHFFFAOYSA-N
XLogP3.24
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.24
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'}

Analyze N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)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

Related Compounds

2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
CID 91741601
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-yn-1-one
CID 154710582
2,4-dimethoxy-1-[2-(4-methylphenyl)prop-1-enyl]benzene
CID 59073216
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine (CID 88635833) is N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine is COc1ccc(C(=NO)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine?
The InChIKey is UOJJPZILNNZWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(17-18)14-9-8-13(19-2)10-15(14)20-3/h4-10,18H,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine?
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 88635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).