2-bromo-1-methyl-1-phenylhydrazine

C7H9BrN2 — CID 87706260

IUPAC2-bromo-1-methyl-1-phenylhydrazine
SMILESCN(NBr)c1ccccc1
InChIInChI=1S/C7H9BrN2/c1-10(9-8)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyRXUZPSNPGPJTHJ-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.94
Rot. Bonds2

About 2-bromo-1-methyl-1-phenylhydrazine

2-bromo-1-methyl-1-phenylhydrazine (PubChem CID 87706260) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-bromo-1-methyl-1-phenylhydrazine.

Molecular Properties

Compound Name2-bromo-1-methyl-1-phenylhydrazine
PubChem CID87706260
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-bromo-1-methyl-1-phenylhydrazine
SMILESCN(NBr)c1ccccc1
InChIInChI=1S/C7H9BrN2/c1-10(9-8)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyRXUZPSNPGPJTHJ-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-1-phenylhydrazine;hydrochloride
CID 21217204
CID 69241188
CID 69241188
N,N-dimethylaniline
CID 70392672
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N,N-dimethylaniline;osmium(4+)
CID 172845967
N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide
CID 47111890
1-methyl-1-phenyl-2-prop-2-enylhydrazine
CID 134935015
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-1-phenylhydrazine?
The IUPAC name of 2-bromo-1-methyl-1-phenylhydrazine (CID 87706260) is 2-bromo-1-methyl-1-phenylhydrazine.
What is the SMILES notation for 2-bromo-1-methyl-1-phenylhydrazine?
The canonical SMILES for 2-bromo-1-methyl-1-phenylhydrazine is CN(NBr)c1ccccc1.
What is the InChIKey of 2-bromo-1-methyl-1-phenylhydrazine?
The InChIKey is RXUZPSNPGPJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-10(9-8)7-5-3-2-4-6-7/h2-6,9H,1H3.
What are the key properties of 2-bromo-1-methyl-1-phenylhydrazine?
2-bromo-1-methyl-1-phenylhydrazine has a molecular weight of 201.07 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-1-phenylhydrazine is sourced from PubChem (CID 87706260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).