2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline

C15H17BrFN3O — CID 105263218

IUPAC2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline
SMILESCOc1ccc(Br)cc1CC(NN)c1cc(F)ccc1N
InChIInChI=1S/C15H17BrFN3O/c1-21-15-5-2-10(16)6-9(15)7-14(20-19)12-8-11(17)3-4-13(12)18/h2-6,8,14,20H,7,18-19H2,1H3
InChIKeyRKXCEPGHXZMYIX-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline

2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline (PubChem CID 105263218) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline
PubChem CID105263218
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline
SMILESCOc1ccc(Br)cc1CC(NN)c1cc(F)ccc1N
InChIInChI=1S/C15H17BrFN3O/c1-21-15-5-2-10(16)6-9(15)7-14(20-19)12-8-11(17)3-4-13(12)18/h2-6,8,14,20H,7,18-19H2,1H3
InChIKeyRKXCEPGHXZMYIX-UHFFFAOYSA-N
XLogP2.93
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.93
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

4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 105263260
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
CID 105377915
[2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105195600
[2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105290134
[1-(4-bromo-2-fluorophenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105281069
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
[1-(3-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290179
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
[2-(5-bromo-2-methoxyphenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694227
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
CID 105290205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline?
The IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline (CID 105263218) is 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline?
The canonical SMILES for 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline is COc1ccc(Br)cc1CC(NN)c1cc(F)ccc1N.
What is the InChIKey of 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline?
The InChIKey is RKXCEPGHXZMYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-21-15-5-2-10(16)6-9(15)7-14(20-19)12-8-11(17)3-4-13(12)18/h2-6,8,14,20H,7,18-19H2,1H3.
What are the key properties of 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline?
2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline has a molecular weight of 354.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methoxyphenyl)-1-hydrazinylethyl]-4-fluoroaniline is sourced from PubChem (CID 105263218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).