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

C14H15BrN2O — CID 15532440

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCOc1ccc(Br)c(CNNc2ccccc2)c1
InChIInChI=1S/C14H15BrN2O/c1-18-13-7-8-14(15)11(9-13)10-16-17-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChIKeyVNGOBRGHUXXHFC-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.57
Rot. Bonds5

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

1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 15532440) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID15532440
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCOc1ccc(Br)c(CNNc2ccccc2)c1
InChIInChI=1S/C14H15BrN2O/c1-18-13-7-8-14(15)11(9-13)10-16-17-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChIKeyVNGOBRGHUXXHFC-UHFFFAOYSA-N
XLogP3.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
CID 169387140
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842
N-[(2-bromo-5-methoxyphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 103827945
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine (CID 15532440) is 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine is COc1ccc(Br)c(CNNc2ccccc2)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is VNGOBRGHUXXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-13-7-8-14(15)11(9-13)10-16-17-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 307.19 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 15532440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).