N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C17H18BrNO5 — CID 22681448

IUPACN-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cccc(OCCOc2c(Br)cc(C=NO)cc2OC)c1
InChIInChI=1S/C17H18BrNO5/c1-21-13-4-3-5-14(10-13)23-6-7-24-17-15(18)8-12(11-19-20)9-16(17)22-2/h3-5,8-11,20H,6-7H2,1-2H3
InChIKeyDLDGANMPQAAMNY-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.73
Rot. Bonds8

About N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22681448) has the molecular formula C17H18BrNO5 and a molecular weight of 396.24 g/mol. Its IUPAC name is N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22681448
Molecular FormulaC17H18BrNO5
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC NameN-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cccc(OCCOc2c(Br)cc(C=NO)cc2OC)c1
InChIInChI=1S/C17H18BrNO5/c1-21-13-4-3-5-14(10-13)23-6-7-24-17-15(18)8-12(11-19-20)9-16(17)22-2/h3-5,8-11,20H,6-7H2,1-2H3
InChIKeyDLDGANMPQAAMNY-UHFFFAOYSA-N
XLogP3.73
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)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

(NE)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 6898200
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 1321073
N-[[3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993090
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 5398997
[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylideneamino]thiourea
CID 5124817
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 57365555
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681380
N-[[3-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22685000
2-[2-bromo-4-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 40596478
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 57365553
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22681448) is N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is COc1cccc(OCCOc2c(Br)cc(C=NO)cc2OC)c1.
What is the InChIKey of N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is DLDGANMPQAAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5/c1-21-13-4-3-5-14(10-13)23-6-7-24-17-15(18)8-12(11-19-20)9-16(17)22-2/h3-5,8-11,20H,6-7H2,1-2H3.
What are the key properties of N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 396.24 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22681448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).