[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine

C15H15BrN2O2 — CID 168529800

IUPAC[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
SMILESCOc1ccc(C=NN)cc1COc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-19-14-7-6-11(9-18-17)8-12(14)10-20-15-5-3-2-4-13(15)16/h2-9H,10,17H2,1H3
InChIKeyYPYFRPJJKZDZLS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.33
Rot. Bonds5

About [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine

[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine (PubChem CID 168529800) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
PubChem CID168529800
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
SMILESCOc1ccc(C=NN)cc1COc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-19-14-7-6-11(9-18-17)8-12(14)10-20-15-5-3-2-4-13(15)16/h2-9H,10,17H2,1H3
InChIKeyYPYFRPJJKZDZLS-UHFFFAOYSA-N
XLogP3.33
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168530513
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
CID 170877289
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
benzyl N'-[[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]carbamimidothioate
CID 168611953
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529604
(E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566883
[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazine
CID 168531004
(5E)-5-[[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19549238
[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]methylidenehydrazine
CID 168529757
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
2-bromo-N-[(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 39818748

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine?
The IUPAC name of [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine (CID 168529800) is [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine.
What is the SMILES notation for [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine?
The canonical SMILES for [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine is COc1ccc(C=NN)cc1COc1ccccc1Br.
What is the InChIKey of [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine?
The InChIKey is YPYFRPJJKZDZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-19-14-7-6-11(9-18-17)8-12(14)10-20-15-5-3-2-4-13(15)16/h2-9H,10,17H2,1H3.
What are the key properties of [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine?
[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine has a molecular weight of 335.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine is sourced from PubChem (CID 168529800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).