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

C15H24BrF2N3 — CID 106945368

IUPAC1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(CC)C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H24BrF2N3/c1-5-15(4,21(6-2)7-3)14(20-19)12-11(17)9-8-10(16)13(12)18/h8-9,14,20H,5-7,19H2,1-4H3
InChIKeyOBLUHLRKUZLGFQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.74
Rot. Bonds7

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

1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine (PubChem CID 106945368) has the molecular formula C15H24BrF2N3 and a molecular weight of 364.28 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
PubChem CID106945368
Molecular FormulaC15H24BrF2N3
Molecular Weight364.28 g/mol
Exact Mass363.11
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(CC)C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H24BrF2N3/c1-5-15(4,21(6-2)7-3)14(20-19)12-11(17)9-8-10(16)13(12)18/h8-9,14,20H,5-7,19H2,1-4H3
InChIKeyOBLUHLRKUZLGFQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.74
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

1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 106945364
1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 106942739
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106945665
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine (CID 106945368) is 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine is CCN(CC)C(C)(CC)C(NN)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The InChIKey is OBLUHLRKUZLGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrF2N3/c1-5-15(4,21(6-2)7-3)14(20-19)12-11(17)9-8-10(16)13(12)18/h8-9,14,20H,5-7,19H2,1-4H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine has a molecular weight of 364.28 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine is sourced from PubChem (CID 106945368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).