[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine

C12H17BrFN3O — CID 105244468

IUPAC[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
SMILESCN1CCOC(C(NN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C12H17BrFN3O/c1-17-4-5-18-11(7-17)12(16-15)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,16H,4-5,7,15H2,1H3
InChIKeyJZERGNODOPMMAR-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.42
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine

[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine (PubChem CID 105244468) has the molecular formula C12H17BrFN3O and a molecular weight of 318.19 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
PubChem CID105244468
Molecular FormulaC12H17BrFN3O
Molecular Weight318.19 g/mol
Exact Mass317.05
IUPAC Name[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
SMILESCN1CCOC(C(NN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C12H17BrFN3O/c1-17-4-5-18-11(7-17)12(16-15)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,16H,4-5,7,15H2,1H3
InChIKeyJZERGNODOPMMAR-UHFFFAOYSA-N
XLogP1.42
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.42
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

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79739614
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261300
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
[(4-bromothiophen-3-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244304
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 106942771
[(4-methylmorpholin-2-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105244278
[2-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 105244565
[(4-fluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247799
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
(2-fluorophenyl)-(4-methylmorpholin-2-yl)methanol
CID 79087093
[(1-methylimidazol-2-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244400
[(2-fluoro-5-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 105302766

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine (CID 105244468) is [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine is CN1CCOC(C(NN)c2cc(Br)ccc2F)C1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine?
The InChIKey is JZERGNODOPMMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN3O/c1-17-4-5-18-11(7-17)12(16-15)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,16H,4-5,7,15H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine has a molecular weight of 318.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine is sourced from PubChem (CID 105244468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).