3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine

C11H17ClFN3 — CID 105259286

IUPAC3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C11H17ClFN3/c1-16(2)6-5-11(15-14)9-4-3-8(12)7-10(9)13/h3-4,7,11,15H,5-6,14H2,1-2H3
InChIKeyWMUPCFPULWKDLH-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.94
Rot. Bonds5

About 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine

3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine (PubChem CID 105259286) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
PubChem CID105259286
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C11H17ClFN3/c1-16(2)6-5-11(15-14)9-4-3-8(12)7-10(9)13/h3-4,7,11,15H,5-6,14H2,1-2H3
InChIKeyWMUPCFPULWKDLH-UHFFFAOYSA-N
XLogP1.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.94
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

3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine
CID 105328383
3-(2,6-difluoro-3-methylphenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259156
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
[1-(4-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105217930
2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
3-(3,4-dichlorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259260
[1-(4-chloro-2-fluorophenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105328422
[1-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868423
[1-(4-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105217959

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine (CID 105259286) is 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine is CN(C)CCC(NN)c1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
The InChIKey is WMUPCFPULWKDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-16(2)6-5-11(15-14)9-4-3-8(12)7-10(9)13/h3-4,7,11,15H,5-6,14H2,1-2H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine?
3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine has a molecular weight of 245.73 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 105259286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).