3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine

C13H21F2N3 — CID 105244099

IUPAC3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1ccc(F)cc1F
InChIInChI=1S/C13H21F2N3/c1-3-18(4-2)8-7-13(17-16)11-6-5-10(14)9-12(11)15/h5-6,9,13,17H,3-4,7-8,16H2,1-2H3
InChIKeyIMQYFYDSUXFKLB-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.20
Rot. Bonds7

About 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine

3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine (PubChem CID 105244099) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
PubChem CID105244099
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1ccc(F)cc1F
InChIInChI=1S/C13H21F2N3/c1-3-18(4-2)8-7-13(17-16)11-6-5-10(14)9-12(11)15/h5-6,9,13,17H,3-4,7-8,16H2,1-2H3
InChIKeyIMQYFYDSUXFKLB-UHFFFAOYSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.20
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

1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943
2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
1-(2,4-difluorophenyl)hex-4-ynylhydrazine
CID 105216646
N,N-diethyl-3-(4-fluoro-3-methylphenyl)-3-hydrazinylpropan-1-amine
CID 105243974
3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259286
N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026559
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-2-methylphenyl)propan-1-amine
CID 105244209
3-(2,4-dimethoxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244236
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
N,N-diethyl-3-(5-fluoro-3-pyridinyl)-3-hydrazinylpropan-1-amine
CID 105244160

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine (CID 105244099) is 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine is CCN(CC)CCC(NN)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The InChIKey is IMQYFYDSUXFKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-3-18(4-2)8-7-13(17-16)11-6-5-10(14)9-12(11)15/h5-6,9,13,17H,3-4,7-8,16H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine is sourced from PubChem (CID 105244099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).