4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

C12H19BrFN3 — CID 105259150

IUPAC4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1cccc(F)c1Br)NN
InChIInChI=1S/C12H19BrFN3/c1-17(2)7-6-10(16-15)8-9-4-3-5-11(14)12(9)13/h3-5,10,16H,6-8,15H2,1-2H3
InChIKeyRMSDZKNMCNKZDE-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.91
Rot. Bonds6

About 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (PubChem CID 105259150) has the molecular formula C12H19BrFN3 and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
PubChem CID105259150
Molecular FormulaC12H19BrFN3
Molecular Weight304.21 g/mol
Exact Mass303.07
IUPAC Name4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1cccc(F)c1Br)NN
InChIInChI=1S/C12H19BrFN3/c1-17(2)7-6-10(16-15)8-9-4-3-5-11(14)12(9)13/h3-5,10,16H,6-8,15H2,1-2H3
InChIKeyRMSDZKNMCNKZDE-UHFFFAOYSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.91
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

4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
CID 105327036
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929724
[1-(2-bromo-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105209469
[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205390
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (CID 105259150) is 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is CN(C)CCC(Cc1cccc(F)c1Br)NN.
What is the InChIKey of 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The InChIKey is RMSDZKNMCNKZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrFN3/c1-17(2)7-6-10(16-15)8-9-4-3-5-11(14)12(9)13/h3-5,10,16H,6-8,15H2,1-2H3.
What are the key properties of 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine has a molecular weight of 304.21 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 105259150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).