4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline

C16H20FN3O — CID 105263260

IUPAC4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1CC(NN)c1cc(F)ccc1N
InChIInChI=1S/C16H20FN3O/c1-10-3-6-16(21-2)11(7-10)8-15(20-19)13-9-12(17)4-5-14(13)18/h3-7,9,15,20H,8,18-19H2,1-2H3
InChIKeyZSZCWBBCBLRZGL-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.47
Rot. Bonds5

About 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline

4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline (PubChem CID 105263260) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline
PubChem CID105263260
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(C)cc1CC(NN)c1cc(F)ccc1N
InChIInChI=1S/C16H20FN3O/c1-10-3-6-16(21-2)11(7-10)8-15(20-19)13-9-12(17)4-5-14(13)18/h3-7,9,15,20H,8,18-19H2,1-2H3
InChIKeyZSZCWBBCBLRZGL-UHFFFAOYSA-N
XLogP2.47
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline
CID 105263218
[1-(2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105211135
[1-(2-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105291970
[1-(2-fluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105204947
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
[2-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105334210
1,2-bis(5-fluoro-2-methylphenyl)ethylhydrazine
CID 105377773
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
CID 105377915
[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203747
[2-(5-chloro-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 103053830
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline?
The IUPAC name of 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline (CID 105263260) is 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline?
The canonical SMILES for 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline is COc1ccc(C)cc1CC(NN)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline?
The InChIKey is ZSZCWBBCBLRZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-3-6-16(21-2)11(7-10)8-15(20-19)13-9-12(17)4-5-14(13)18/h3-7,9,15,20H,8,18-19H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline?
4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline has a molecular weight of 289.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline is sourced from PubChem (CID 105263260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).