5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline

C14H20ClF2N3 — CID 114225965

IUPAC5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
SMILESNNC(CC1CCCC(F)(F)C1)c1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClF2N3/c15-10-3-4-11(12(18)7-10)13(20-19)6-9-2-1-5-14(16,17)8-9/h3-4,7,9,13,20H,1-2,5-6,8,18-19H2
InChIKeyBERJFSJIWSYOKS-UHFFFAOYSA-N
MW303.78 g/mol
LogP3.64
Rot. Bonds4

About 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline

5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline (PubChem CID 114225965) has the molecular formula C14H20ClF2N3 and a molecular weight of 303.78 g/mol. Its IUPAC name is 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
PubChem CID114225965
Molecular FormulaC14H20ClF2N3
Molecular Weight303.78 g/mol
Exact Mass303.13
IUPAC Name5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
SMILESNNC(CC1CCCC(F)(F)C1)c1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClF2N3/c15-10-3-4-11(12(18)7-10)13(20-19)6-9-2-1-5-14(16,17)8-9/h3-4,7,9,13,20H,1-2,5-6,8,18-19H2
InChIKeyBERJFSJIWSYOKS-UHFFFAOYSA-N
XLogP3.64
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964
[2-(3,3-difluorocyclohexyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 114226056
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
CID 107997064
[1-(2,5-dibromophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114226017
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 114225939
5-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
CID 105224018
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline
CID 105224234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline?
The IUPAC name of 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline (CID 114225965) is 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline is NNC(CC1CCCC(F)(F)C1)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline?
The InChIKey is BERJFSJIWSYOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2N3/c15-10-3-4-11(12(18)7-10)13(20-19)6-9-2-1-5-14(16,17)8-9/h3-4,7,9,13,20H,1-2,5-6,8,18-19H2.
What are the key properties of 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline?
5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline has a molecular weight of 303.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 114225965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).