N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C17H19NO3 — CID 20989546

IUPACN-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccc(OCCOc2ccccc2C=NO)c(C)c1
InChIInChI=1S/C17H19NO3/c1-13-7-8-16(14(2)11-13)20-9-10-21-17-6-4-3-5-15(17)12-18-19/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyFTOXNQQLWWUELT-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.57
Rot. Bonds6

About N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20989546) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID20989546
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccc(OCCOc2ccccc2C=NO)c(C)c1
InChIInChI=1S/C17H19NO3/c1-13-7-8-16(14(2)11-13)20-9-10-21-17-6-4-3-5-15(17)12-18-19/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyFTOXNQQLWWUELT-UHFFFAOYSA-N
XLogP3.57
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]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

N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
N-[[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20993969
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
N-[[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987624
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42337956

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 20989546) is N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is Cc1ccc(OCCOc2ccccc2C=NO)c(C)c1.
What is the InChIKey of N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is FTOXNQQLWWUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-7-8-16(14(2)11-13)20-9-10-21-17-6-4-3-5-15(17)12-18-19/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 285.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20989546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).