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

C14H22BrF2N3 — CID 106945364

IUPAC1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
SMILESCCN(CC)C(C)(C)C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H22BrF2N3/c1-5-20(6-2)14(3,4)13(19-18)11-10(16)8-7-9(15)12(11)17/h7-8,13,19H,5-6,18H2,1-4H3
InChIKeyLTHQVSSPLLAOKA-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.35
Rot. Bonds6

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

1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine (PubChem CID 106945364) has the molecular formula C14H22BrF2N3 and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
PubChem CID106945364
Molecular FormulaC14H22BrF2N3
Molecular Weight350.25 g/mol
Exact Mass349.10
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
SMILESCCN(CC)C(C)(C)C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H22BrF2N3/c1-5-20(6-2)14(3,4)13(19-18)11-10(16)8-7-9(15)12(11)17/h7-8,13,19H,5-6,18H2,1-4H3
InChIKeyLTHQVSSPLLAOKA-UHFFFAOYSA-N
XLogP3.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.35
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-methylbutan-2-amine
CID 106945368
1-(3,4-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239288
1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 106267838
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
[1-(2,6-difluoro-3-methylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245299
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 106942739
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine (CID 106945364) is 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine is CCN(CC)C(C)(C)C(NN)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine?
The InChIKey is LTHQVSSPLLAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrF2N3/c1-5-20(6-2)14(3,4)13(19-18)11-10(16)8-7-9(15)12(11)17/h7-8,13,19H,5-6,18H2,1-4H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine has a molecular weight of 350.25 g/mol, XLogP of 3.35, 6 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-methylpropan-2-amine is sourced from PubChem (CID 106945364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).