N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

C16H16FNO4 — CID 20992695

IUPACN-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H16FNO4/c1-20-15-7-2-12(11-18-19)10-16(15)22-9-8-21-14-5-3-13(17)4-6-14/h2-7,10-11,19H,8-9H2,1H3
InChIKeyRAUNHTGTXVIMNM-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.10
Rot. Bonds7

About N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 20992695) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID20992695
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC NameN-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H16FNO4/c1-20-15-7-2-12(11-18-19)10-16(15)22-9-8-21-14-5-3-13(17)4-6-14/h2-7,10-11,19H,8-9H2,1H3
InChIKeyRAUNHTGTXVIMNM-UHFFFAOYSA-N
XLogP3.10
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]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

(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22681745
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42337956
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
N-[[3-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22685000
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987045
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (CID 20992695) is N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(C=NO)cc1OCCOc1ccc(F)cc1.
What is the InChIKey of N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is RAUNHTGTXVIMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-20-15-7-2-12(11-18-19)10-16(15)22-9-8-21-14-5-3-13(17)4-6-14/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 305.31 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20992695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).