3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine

C11H16BrF2N3 — CID 106945415

IUPAC3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H16BrF2N3/c1-17(2)6-5-9(16-15)10-8(13)4-3-7(12)11(10)14/h3-4,9,16H,5-6,15H2,1-2H3
InChIKeyCNYRWAAWPKJWQA-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.18
Rot. Bonds5

About 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine

3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine (PubChem CID 106945415) has the molecular formula C11H16BrF2N3 and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
PubChem CID106945415
Molecular FormulaC11H16BrF2N3
Molecular Weight308.17 g/mol
Exact Mass307.05
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H16BrF2N3/c1-17(2)6-5-9(16-15)10-8(13)4-3-7(12)11(10)14/h3-4,9,16H,5-6,15H2,1-2H3
InChIKeyCNYRWAAWPKJWQA-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-3-methylphenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259156
1-(3-bromo-2,6-difluorophenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 106942928
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106945665
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
1-(3-bromo-2,6-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 106942768
3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259286
[1-(3-bromo-2,6-difluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106945264
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 106945368
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine (CID 106945415) is 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine is CN(C)CCC(NN)c1c(F)ccc(Br)c1F.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
The InChIKey is CNYRWAAWPKJWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF2N3/c1-17(2)6-5-9(16-15)10-8(13)4-3-7(12)11(10)14/h3-4,9,16H,5-6,15H2,1-2H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine has a molecular weight of 308.17 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 106945415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).