1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine

C21H20BrClN2O2 — CID 169385134

IUPAC1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)cc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C21H20BrClN2O2/c1-26-20-9-7-15(13-24-25-18-5-3-2-4-6-18)11-16(20)14-27-21-10-8-17(23)12-19(21)22/h2-12,24-25H,13-14H2,1H3
InChIKeyOJNCSQWFIIYIQC-UHFFFAOYSA-N
MW447.76 g/mol
LogP5.81
Rot. Bonds8

About 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine

1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine (PubChem CID 169385134) has the molecular formula C21H20BrClN2O2 and a molecular weight of 447.76 g/mol. Its IUPAC name is 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
PubChem CID169385134
Molecular FormulaC21H20BrClN2O2
Molecular Weight447.76 g/mol
Exact Mass446.04
IUPAC Name1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccc(CNNc2ccccc2)cc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C21H20BrClN2O2/c1-26-20-9-7-15(13-24-25-18-5-3-2-4-6-18)11-16(20)14-27-21-10-8-17(23)12-19(21)22/h2-12,24-25H,13-14H2,1H3
InChIKeyOJNCSQWFIIYIQC-UHFFFAOYSA-N
XLogP5.81
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.76
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169385117
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386081
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
1-[[3-(methoxymethyl)-4-propoxyphenyl]methyl]-2-phenylhydrazine
CID 169386185
1-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
CID 169386020
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207485
1-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385385
1-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385669

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine (CID 169385134) is 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine is COc1ccc(CNNc2ccccc2)cc1COc1ccc(Cl)cc1Br.
What is the InChIKey of 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine?
The InChIKey is OJNCSQWFIIYIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN2O2/c1-26-20-9-7-15(13-24-25-18-5-3-2-4-6-18)11-16(20)14-27-21-10-8-17(23)12-19(21)22/h2-12,24-25H,13-14H2,1H3.
What are the key properties of 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine?
1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine has a molecular weight of 447.76 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).