4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine

C15H25ClFN3 — CID 105239158

IUPAC4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C15H25ClFN3/c1-5-20(6-2)15(3,4)14(19-18)10-11-12(16)8-7-9-13(11)17/h7-9,14,19H,5-6,10,18H2,1-4H3
InChIKeyCSSNPSCYVSDODW-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.97
Rot. Bonds7

About 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine

4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine (PubChem CID 105239158) has the molecular formula C15H25ClFN3 and a molecular weight of 301.84 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
PubChem CID105239158
Molecular FormulaC15H25ClFN3
Molecular Weight301.84 g/mol
Exact Mass301.17
IUPAC Name4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C15H25ClFN3/c1-5-20(6-2)15(3,4)14(19-18)10-11-12(16)8-7-9-13(11)17/h7-9,14,19H,5-6,10,18H2,1-4H3
InChIKeyCSSNPSCYVSDODW-UHFFFAOYSA-N
XLogP2.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.97
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-chloro-6-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240763
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
[1-(2-chloro-6-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105215890
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
N,N-diethyl-3-hydrazinyl-2-methyl-4-(4-propan-2-ylphenyl)butan-2-amine
CID 105239157
1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 102867916
1-(2-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240791
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759886
[2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252351
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
[1-(2-chloro-6-fluorophenyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342808

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine (CID 105239158) is 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine is CCN(CC)C(C)(C)C(Cc1c(F)cccc1Cl)NN.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine?
The InChIKey is CSSNPSCYVSDODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClFN3/c1-5-20(6-2)15(3,4)14(19-18)10-11-12(16)8-7-9-13(11)17/h7-9,14,19H,5-6,10,18H2,1-4H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine?
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine has a molecular weight of 301.84 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine is sourced from PubChem (CID 105239158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).