1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine

C15H23ClFN3 — CID 107895172

IUPAC1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(Cc2ccc(Cl)c(F)c2)NN)CCCC1
InChIInChI=1S/C15H23ClFN3/c1-20(2)15(7-3-4-8-15)14(19-18)10-11-5-6-12(16)13(17)9-11/h5-6,9,14,19H,3-4,7-8,10,18H2,1-2H3
InChIKeySXLKRUYPZKNPFB-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.73
Rot. Bonds5

About 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine

1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 107895172) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID107895172
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(C(Cc2ccc(Cl)c(F)c2)NN)CCCC1
InChIInChI=1S/C15H23ClFN3/c1-20(2)15(7-3-4-8-15)14(19-18)10-11-5-6-12(16)13(17)9-11/h5-6,9,14,19H,3-4,7-8,10,18H2,1-2H3
InChIKeySXLKRUYPZKNPFB-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.73
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-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
1-[2-(2-chloro-5-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 102623370
1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105412939
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103044091
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
[2-(4-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 107895103
[2-(4-chloro-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 107895525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine (CID 107895172) is 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(C(Cc2ccc(Cl)c(F)c2)NN)CCCC1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is SXLKRUYPZKNPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-20(2)15(7-3-4-8-15)14(19-18)10-11-5-6-12(16)13(17)9-11/h5-6,9,14,19H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine?
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 299.82 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107895172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).