2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline

C16H17BrFNO2 — CID 107635868

IUPAC2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
SMILESCCOc1ccccc1OCCNc1cc(F)ccc1Br
InChIInChI=1S/C16H17BrFNO2/c1-2-20-15-5-3-4-6-16(15)21-10-9-19-14-11-12(18)7-8-13(14)17/h3-8,11,19H,2,9-10H2,1H3
InChIKeyXRUCHBLXRLAEBN-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.48
Rot. Bonds7

About 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline

2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline (PubChem CID 107635868) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
PubChem CID107635868
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
SMILESCCOc1ccccc1OCCNc1cc(F)ccc1Br
InChIInChI=1S/C16H17BrFNO2/c1-2-20-15-5-3-4-6-16(15)21-10-9-19-14-11-12(18)7-8-13(14)17/h3-8,11,19H,2,9-10H2,1H3
InChIKeyXRUCHBLXRLAEBN-UHFFFAOYSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.48
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

N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
CID 62573032
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
CID 107634679
N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
CID 63488256
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol
CID 104952393
1-bromo-2-[3-(2-ethoxyphenoxy)propoxy]-4,5-dimethylbenzene
CID 2285698
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline (CID 107635868) is 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline is CCOc1ccccc1OCCNc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline?
The InChIKey is XRUCHBLXRLAEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-2-20-15-5-3-4-6-16(15)21-10-9-19-14-11-12(18)7-8-13(14)17/h3-8,11,19H,2,9-10H2,1H3.
What are the key properties of 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline?
2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline has a molecular weight of 354.22 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107635868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).