[(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine

C16H18BrFN2O — CID 105303658

IUPAC[(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine
SMILESCCCOc1ccc(C(NN)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H18BrFN2O/c1-2-9-21-13-6-3-11(4-7-13)16(20-19)14-8-5-12(18)10-15(14)17/h3-8,10,16,20H,2,9,19H2,1H3
InChIKeyLJTBWZPPFQSPAB-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.93
Rot. Bonds6

About [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine

[(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine (PubChem CID 105303658) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine
PubChem CID105303658
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine
SMILESCCCOc1ccc(C(NN)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H18BrFN2O/c1-2-9-21-13-6-3-11(4-7-13)16(20-19)14-8-5-12(18)10-15(14)17/h3-8,10,16,20H,2,9,19H2,1H3
InChIKeyLJTBWZPPFQSPAB-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

[(2-bromo-5-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303709
[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105248508
[(2-bromofuran-3-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 106859886
[(2,5-dimethylphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303653
[(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305489
[(2-bromo-4-fluorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304939
[(3-bromo-4-fluorophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105264052
[(4-butoxyphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287427
[(2,5-dibromophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300739
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
[(3-methoxyphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105191804
[2-(3-fluorophenyl)-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105204863

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine (CID 105303658) is [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine is CCCOc1ccc(C(NN)c2ccc(F)cc2Br)cc1.
What is the InChIKey of [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine?
The InChIKey is LJTBWZPPFQSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-2-9-21-13-6-3-11(4-7-13)16(20-19)14-8-5-12(18)10-15(14)17/h3-8,10,16,20H,2,9,19H2,1H3.
What are the key properties of [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine?
[(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-fluorophenyl)-(4-propoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105303658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).