N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline

C15H15BrFNO2 — CID 83141185

IUPACN-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
SMILESCOc1cccc(Br)c1OCCNc1ccccc1F
InChIInChI=1S/C15H15BrFNO2/c1-19-14-8-4-5-11(16)15(14)20-10-9-18-13-7-3-2-6-12(13)17/h2-8,18H,9-10H2,1H3
InChIKeyIRFKASBAZVFFHG-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline

N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline (PubChem CID 83141185) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
PubChem CID83141185
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC NameN-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
SMILESCOc1cccc(Br)c1OCCNc1ccccc1F
InChIInChI=1S/C15H15BrFNO2/c1-19-14-8-4-5-11(16)15(14)20-10-9-18-13-7-3-2-6-12(13)17/h2-8,18H,9-10H2,1H3
InChIKeyIRFKASBAZVFFHG-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801
N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-fluoroaniline
CID 83141086
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-2-fluoroaniline
CID 107661382
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
CID 54798286
N-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-2-methylaniline
CID 79407221

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline (CID 83141185) is N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline is COc1cccc(Br)c1OCCNc1ccccc1F.
What is the InChIKey of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline?
The InChIKey is IRFKASBAZVFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-14-8-4-5-11(16)15(14)20-10-9-18-13-7-3-2-6-12(13)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline?
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline has a molecular weight of 340.19 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline is sourced from PubChem (CID 83141185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).