1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine

C15H17BrN2O — CID 169387140

IUPAC1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
SMILESCOc1c(Br)ccc(C)c1CNNc1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-11-8-9-14(16)15(19-2)13(11)10-17-18-12-6-4-3-5-7-12/h3-9,17-18H,10H2,1-2H3
InChIKeyOQYFKQPPEWTZLC-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.88
Rot. Bonds5

About 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine

1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine (PubChem CID 169387140) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
PubChem CID169387140
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
SMILESCOc1c(Br)ccc(C)c1CNNc1ccccc1
InChIInChI=1S/C15H17BrN2O/c1-11-8-9-14(16)15(19-2)13(11)10-17-18-12-6-4-3-5-7-12/h3-9,17-18H,10H2,1-2H3
InChIKeyOQYFKQPPEWTZLC-UHFFFAOYSA-N
XLogP3.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.88
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

4-methoxy-3,5-dimethyl-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385232
1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386720
1-[[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387097
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenyl] benzoate
CID 169386305
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]piperazine
CID 117482052
2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol
CID 169384554
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine (CID 169387140) is 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine is COc1c(Br)ccc(C)c1CNNc1ccccc1.
What is the InChIKey of 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine?
The InChIKey is OQYFKQPPEWTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-8-9-14(16)15(19-2)13(11)10-17-18-12-6-4-3-5-7-12/h3-9,17-18H,10H2,1-2H3.
What are the key properties of 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine?
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine has a molecular weight of 321.22 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169387140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).