[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine

C16H18BrFN2O — CID 105304152

IUPAC[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCC(C)Oc1ccc(C(NN)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C16H18BrFN2O/c1-10(2)21-13-6-3-11(4-7-13)16(20-19)12-5-8-14(17)15(18)9-12/h3-10,16,20H,19H2,1-2H3
InChIKeyAWRBCVXARIUNGA-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.93
Rot. Bonds5

About [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine

[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine (PubChem CID 105304152) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
PubChem CID105304152
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCC(C)Oc1ccc(C(NN)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C16H18BrFN2O/c1-10(2)21-13-6-3-11(4-7-13)16(20-19)12-5-8-14(17)15(18)9-12/h3-10,16,20H,19H2,1-2H3
InChIKeyAWRBCVXARIUNGA-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.93
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

1-bromo-4-[bromo-(4-propan-2-yloxyphenyl)methyl]-2-fluorobenzene
CID 63441116
[(4-bromo-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326153
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 82790188
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105251286
[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304109
[(3-iodophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304077
[(3-fluoro-4-methylphenyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105201578
[(4-bromo-3-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105289235
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056
[(3-fluorophenyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105193073
[(3-bromo-4-fluorophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105264052
[(4-propan-2-yloxyphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924195

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine (CID 105304152) is [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine is CC(C)Oc1ccc(C(NN)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The InChIKey is AWRBCVXARIUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-10(2)21-13-6-3-11(4-7-13)16(20-19)12-5-8-14(17)15(18)9-12/h3-10,16,20H,19H2,1-2H3.
What are the key properties of [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105304152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).