[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine

C15H16BrFN2 — CID 105279509

IUPAC[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cccc(F)c2)cc(C)c1Br
InChIInChI=1S/C15H16BrFN2/c1-9-6-12(7-10(2)14(9)16)15(19-18)11-4-3-5-13(17)8-11/h3-8,15,19H,18H2,1-2H3
InChIKeySEKQCTDHCIDXCY-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.76
Rot. Bonds3

About [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine

[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine (PubChem CID 105279509) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine
PubChem CID105279509
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cccc(F)c2)cc(C)c1Br
InChIInChI=1S/C15H16BrFN2/c1-9-6-12(7-10(2)14(9)16)15(19-18)11-4-3-5-13(17)8-11/h3-8,15,19H,18H2,1-2H3
InChIKeySEKQCTDHCIDXCY-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105193094
[(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105279605
[(3-bromo-5-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105285496
[(3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105285550
[(4-fluoro-2-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192975
[(3-bromo-5-fluorophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105238627
[(3-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105193053
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 107541340
[(3-fluorophenyl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269411
[(3-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105193054
[(3-fluorophenyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105193073
[(3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842614

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine (CID 105279509) is [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine is Cc1cc(C(NN)c2cccc(F)c2)cc(C)c1Br.
What is the InChIKey of [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine?
The InChIKey is SEKQCTDHCIDXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-9-6-12(7-10(2)14(9)16)15(19-18)11-4-3-5-13(17)8-11/h3-8,15,19H,18H2,1-2H3.
What are the key properties of [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine?
[(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine has a molecular weight of 323.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3,5-dimethylphenyl)-(3-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105279509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).