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

C16H19BrN2O2 — CID 107986014

IUPAC[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cccc(C)c2Br)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-10-5-4-6-12(15(10)17)16(19-18)11-7-8-13(20-2)14(9-11)21-3/h4-9,16,19H,18H2,1-3H3
InChIKeyRDIPYVCBBXWBSA-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.33
Rot. Bonds5

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

[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine (PubChem CID 107986014) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
PubChem CID107986014
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cccc(C)c2Br)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-10-5-4-6-12(15(10)17)16(19-18)11-7-8-13(20-2)14(9-11)21-3/h4-9,16,19H,18H2,1-3H3
InChIKeyRDIPYVCBBXWBSA-UHFFFAOYSA-N
XLogP3.33
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301110
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
[(4-bromophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192317
[(4-bromo-3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105279392
[(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107979050
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107986143
[(3-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329294
[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 107986010
2-bromo-1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-methylbenzene
CID 114023996
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
[(3,4-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105192250

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine (CID 107986014) is [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2cccc(C)c2Br)cc1OC.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine?
The InChIKey is RDIPYVCBBXWBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-5-4-6-12(15(10)17)16(19-18)11-7-8-13(20-2)14(9-11)21-3/h4-9,16,19H,18H2,1-3H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine has a molecular weight of 351.24 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 107986014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).