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

C14H23F2N3 — CID 105244189

IUPAC4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
SMILESCCN(CC)CCC(Cc1cccc(F)c1F)NN
InChIInChI=1S/C14H23F2N3/c1-3-19(4-2)9-8-12(18-17)10-11-6-5-7-13(15)14(11)16/h5-7,12,18H,3-4,8-10,17H2,1-2H3
InChIKeyYJANMVGTQPHVDP-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.07
Rot. Bonds8

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

4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine (PubChem CID 105244189) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
PubChem CID105244189
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
SMILESCCN(CC)CCC(Cc1cccc(F)c1F)NN
InChIInChI=1S/C14H23F2N3/c1-3-19(4-2)9-8-12(18-17)10-11-6-5-7-13(15)14(11)16/h5-7,12,18H,3-4,8-10,17H2,1-2H3
InChIKeyYJANMVGTQPHVDP-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.07
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
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886
[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259150
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
N,N-diethyl-3-hydrazinyl-4-quinolin-4-ylbutan-1-amine
CID 105244083
[1-(4-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105342687
[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297922

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine (CID 105244189) is 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine is CCN(CC)CCC(Cc1cccc(F)c1F)NN.
What is the InChIKey of 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The InChIKey is YJANMVGTQPHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-3-19(4-2)9-8-12(18-17)10-11-6-5-7-13(15)14(11)16/h5-7,12,18H,3-4,8-10,17H2,1-2H3.
What are the key properties of 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine is sourced from PubChem (CID 105244189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).