1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine

C16H25F2N3 — CID 105412939

IUPAC1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(Cc2cc(F)cc(F)c2)NN)CCCCC1
InChIInChI=1S/C16H25F2N3/c1-21(2)16(6-4-3-5-7-16)15(20-19)10-12-8-13(17)11-14(18)9-12/h8-9,11,15,20H,3-7,10,19H2,1-2H3
InChIKeyAPQDVJDDOLIZAU-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine

1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 105412939) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID105412939
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(Cc2cc(F)cc(F)c2)NN)CCCCC1
InChIInChI=1S/C16H25F2N3/c1-21(2)16(6-4-3-5-7-16)15(20-19)10-12-8-13(17)11-14(18)9-12/h8-9,11,15,20H,3-7,10,19H2,1-2H3
InChIKeyAPQDVJDDOLIZAU-UHFFFAOYSA-N
XLogP2.60
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.60
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

[2-(3,5-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105413024
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
[2-(3,5-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105413025
1-[2-(2-chloro-5-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 102623370
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
[2-(3-bromo-5-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105324822
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
1-(1-hydrazinyl-3-phenylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242308
1-(2-cyclohexyl-1-hydrazinylethyl)-N,N-dimethylcycloheptan-1-amine
CID 105243794
1-[2-(2-fluoro-3-methoxyphenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242560
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine (CID 105412939) is 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(Cc2cc(F)cc(F)c2)NN)CCCCC1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is APQDVJDDOLIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-21(2)16(6-4-3-5-7-16)15(20-19)10-12-8-13(17)11-14(18)9-12/h8-9,11,15,20H,3-7,10,19H2,1-2H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine?
1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105412939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).