4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline

C15H17BrFN3 — CID 105377915

IUPAC4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
SMILESCc1ccc(F)cc1CC(NN)c1cc(Br)ccc1N
InChIInChI=1S/C15H17BrFN3/c1-9-2-4-12(17)6-10(9)7-15(20-19)13-8-11(16)3-5-14(13)18/h2-6,8,15,20H,7,18-19H2,1H3
InChIKeyKOVGWDLFXQQYLQ-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.23
Rot. Bonds4

About 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline

4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline (PubChem CID 105377915) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
PubChem CID105377915
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
SMILESCc1ccc(F)cc1CC(NN)c1cc(Br)ccc1N
InChIInChI=1S/C15H17BrFN3/c1-9-2-4-12(17)6-10(9)7-15(20-19)13-8-11(16)3-5-14(13)18/h2-6,8,15,20H,7,18-19H2,1H3
InChIKeyKOVGWDLFXQQYLQ-UHFFFAOYSA-N
XLogP3.23
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.23
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

2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline
CID 105263218
1,2-bis(5-fluoro-2-methylphenyl)ethylhydrazine
CID 105377773
[1-(5-bromo-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291814
[2-(4-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105297391
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
[2-(5-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105378026
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
[2-(2-bromo-5-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948135
[1-(5-bromothiophen-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105377982
[1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105378083
4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 105263260
[2-(2-bromo-5-fluorophenyl)-1-(4-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280999

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline?
The IUPAC name of 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline (CID 105377915) is 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline.
What is the SMILES notation for 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline?
The canonical SMILES for 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline is Cc1ccc(F)cc1CC(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline?
The InChIKey is KOVGWDLFXQQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-9-2-4-12(17)6-10(9)7-15(20-19)13-8-11(16)3-5-14(13)18/h2-6,8,15,20H,7,18-19H2,1H3.
What are the key properties of 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline?
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline has a molecular weight of 338.22 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline is sourced from PubChem (CID 105377915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).