1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine

C22H23BrN2O2 — CID 169386338

IUPAC1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(CNNc2ccccc2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C22H23BrN2O2/c1-2-26-21-13-18(15-24-25-19-11-7-4-8-12-19)20(23)14-22(21)27-16-17-9-5-3-6-10-17/h3-14,24-25H,2,15-16H2,1H3
InChIKeyUFKOGVHLKTYHRI-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.54
Rot. Bonds9

About 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine

1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386338) has the molecular formula C22H23BrN2O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386338
Molecular FormulaC22H23BrN2O2
Molecular Weight427.34 g/mol
Exact Mass426.09
IUPAC Name1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(CNNc2ccccc2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C22H23BrN2O2/c1-2-26-21-13-18(15-24-25-19-11-7-4-8-12-19)20(23)14-22(21)27-16-17-9-5-3-6-10-17/h3-14,24-25H,2,15-16H2,1H3
InChIKeyUFKOGVHLKTYHRI-UHFFFAOYSA-N
XLogP5.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.54
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-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
4-bromo-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542085
1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386277
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
propan-2-yl 2-[5-bromo-2-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetate
CID 169386474
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 66532208
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzodioxol-5-amine
CID 66541854
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66532264
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-methylbutanoic acid
CID 66532345
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66532263
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine (CID 169386338) is 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine is CCOc1cc(CNNc2ccccc2)c(Br)cc1OCc1ccccc1.
What is the InChIKey of 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is UFKOGVHLKTYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O2/c1-2-26-21-13-18(15-24-25-19-11-7-4-8-12-19)20(23)14-22(21)27-16-17-9-5-3-6-10-17/h3-14,24-25H,2,15-16H2,1H3.
What are the key properties of 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 427.34 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).