4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline

C15H17BrFN3 — CID 105323075

IUPAC4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(NN)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H17BrFN3/c1-20(2)12-6-3-10(4-7-12)15(19-18)13-9-11(16)5-8-14(13)17/h3-9,15,19H,18H2,1-2H3
InChIKeyDLJRDGUMNPHSDK-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.21
Rot. Bonds4

About 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline

4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline (PubChem CID 105323075) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
PubChem CID105323075
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(NN)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H17BrFN3/c1-20(2)12-6-3-10(4-7-12)15(19-18)13-9-11(16)5-8-14(13)17/h3-9,15,19H,18H2,1-2H3
InChIKeyDLJRDGUMNPHSDK-UHFFFAOYSA-N
XLogP3.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.21
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

[(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194403
4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
CID 105167442
[(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methyl]hydrazine
CID 105323074
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105280590
4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline
CID 107130871
[(5-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196222
[(2-fluoro-5-methylphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194262
[(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105284036
[(2,5-difluorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192702
[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304998
[(5-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]hydrazine
CID 112742212
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline (CID 105323075) is 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(NN)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline?
The InChIKey is DLJRDGUMNPHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-20(2)12-6-3-10(4-7-12)15(19-18)13-9-11(16)5-8-14(13)17/h3-9,15,19H,18H2,1-2H3.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline?
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline has a molecular weight of 338.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105323075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).