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

C17H18BrNO5 — CID 22687784

IUPACN-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccccc1OCCOc1c(C=NO)cc(Br)cc1OC
InChIInChI=1S/C17H18BrNO5/c1-21-14-5-3-4-6-15(14)23-7-8-24-17-12(11-19-20)9-13(18)10-16(17)22-2/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyDLQHDCAAMYQJEB-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.73
Rot. Bonds8

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

N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22687784) has the molecular formula C17H18BrNO5 and a molecular weight of 396.24 g/mol. Its IUPAC name is N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22687784
Molecular FormulaC17H18BrNO5
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC NameN-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccccc1OCCOc1c(C=NO)cc(Br)cc1OC
InChIInChI=1S/C17H18BrNO5/c1-21-14-5-3-4-6-15(14)23-7-8-24-17-12(11-19-20)9-13(18)10-16(17)22-2/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyDLQHDCAAMYQJEB-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'}

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Related Compounds

N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987045
N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20986539
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
5-bromo-3-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22681475
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
N-[[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987624
N-[[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20993969
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22687784) is N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is COc1ccccc1OCCOc1c(C=NO)cc(Br)cc1OC.
What is the InChIKey of N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is DLQHDCAAMYQJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5/c1-21-14-5-3-4-6-15(14)23-7-8-24-17-12(11-19-20)9-13(18)10-16(17)22-2/h3-6,9-11,20H,7-8H2,1-2H3.
What are the key properties of N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[5-bromo-3-methoxy-2-[2-(2-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-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22687784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).