[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine

C17H21BrN2O — CID 107986232

IUPAC[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)c2cccc(C)c2Br)ccc(C)c1C
InChIInChI=1S/C17H21BrN2O/c1-10-8-9-14(17(21-4)12(10)3)16(20-19)13-7-5-6-11(2)15(13)18/h5-9,16,20H,19H2,1-4H3
InChIKeyAFPANAJWZSJJPN-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.94
Rot. Bonds4

About [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine

[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (PubChem CID 107986232) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
PubChem CID107986232
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)c2cccc(C)c2Br)ccc(C)c1C
InChIInChI=1S/C17H21BrN2O/c1-10-8-9-14(17(21-4)12(10)3)16(20-19)13-7-5-6-11(2)15(13)18/h5-9,16,20H,19H2,1-4H3
InChIKeyAFPANAJWZSJJPN-UHFFFAOYSA-N
XLogP3.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436271
[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 107954361
[(3-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436318
[(3-bromophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435826
[(2-bromo-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436225
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[(2,3-dimethoxyphenyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300594
[(2-bromo-3-fluorophenyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300521
[(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436388
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973
[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107986014
[(2,3-dimethoxyphenyl)-(2-methylphenyl)methyl]hydrazine
CID 105286106

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (CID 107986232) is [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is COc1c(C(NN)c2cccc(C)c2Br)ccc(C)c1C.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The InChIKey is AFPANAJWZSJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-10-8-9-14(17(21-4)12(10)3)16(20-19)13-7-5-6-11(2)15(13)18/h5-9,16,20H,19H2,1-4H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine has a molecular weight of 349.27 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 107986232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).