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

C16H16BrNO3 — CID 20986539

IUPACN-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cc(Br)cc(C=NO)c1OCc1ccc(C)cc1
InChIInChI=1S/C16H16BrNO3/c1-11-3-5-12(6-4-11)10-21-16-13(9-18-19)7-14(17)8-15(16)20-2/h3-9,19H,10H2,1-2H3
InChIKeyULRPGDREEHHEEK-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.15
Rot. Bonds5

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

N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20986539) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID20986539
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cc(Br)cc(C=NO)c1OCc1ccc(C)cc1
InChIInChI=1S/C16H16BrNO3/c1-11-3-5-12(6-4-11)10-21-16-13(9-18-19)7-14(17)8-15(16)20-2/h3-9,19H,10H2,1-2H3
InChIKeyULRPGDREEHHEEK-UHFFFAOYSA-N
XLogP4.15
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.15
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'}

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Related Compounds

N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22687784
N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987045
N-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 3450844
4-[[2,4-dibromo-6-[(Z)-hydroxyiminomethyl]phenoxy]methyl]benzoic acid
CID 126082413
6-bromo-3-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-butylquinazolin-4-one
CID 126325297
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 1321073
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
ethyl 2-[4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenoxy]acetate
CID 1478243
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 20986539) is N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is COc1cc(Br)cc(C=NO)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is ULRPGDREEHHEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-11-3-5-12(6-4-11)10-21-16-13(9-18-19)7-14(17)8-15(16)20-2/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 350.21 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20986539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).