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

C16H19BrN2O2 — CID 169386040

IUPAC1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(Br)c(CNNc2ccccc2)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-3-21-16-10-14(17)12(9-15(16)20-2)11-18-19-13-7-5-4-6-8-13/h4-10,18-19H,3,11H2,1-2H3
InChIKeyNODDETMLEBUIHT-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.97
Rot. Bonds7

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

1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386040) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386040
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(Br)c(CNNc2ccccc2)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-3-21-16-10-14(17)12(9-15(16)20-2)11-18-19-13-7-5-4-6-8-13/h4-10,18-19H,3,11H2,1-2H3
InChIKeyNODDETMLEBUIHT-UHFFFAOYSA-N
XLogP3.97
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.97
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-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386338
1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386277
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351
propan-2-yl 2-[5-bromo-2-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetate
CID 169386474
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66535724
4-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenol
CID 66541244
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]propanoic acid
CID 66534018
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine (CID 169386040) is 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine is CCOc1cc(Br)c(CNNc2ccccc2)cc1OC.
What is the InChIKey of 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is NODDETMLEBUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-21-16-10-14(17)12(9-15(16)20-2)11-18-19-13-7-5-4-6-8-13/h4-10,18-19H,3,11H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 351.24 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).