N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline

C16H18BrNO2 — CID 63488256

IUPACN-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCCOc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-2-19-16-6-4-3-5-15(16)18-11-12-20-14-9-7-13(17)8-10-14/h3-10,18H,2,11-12H2,1H3
InChIKeyIOAJRUGHJGWLHW-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.34
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline

N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline (PubChem CID 63488256) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
PubChem CID63488256
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCCOc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-2-19-16-6-4-3-5-15(16)18-11-12-20-14-9-7-13(17)8-10-14/h3-10,18H,2,11-12H2,1H3
InChIKeyIOAJRUGHJGWLHW-UHFFFAOYSA-N
XLogP4.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.34
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

2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
N-[2-(4-bromophenoxy)ethyl]-2-methylsulfanylaniline
CID 103604397
N-[2-(4-bromophenoxy)ethyl]-2-(methoxymethyl)aniline
CID 61063112
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
CID 63490686
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline (CID 63488256) is N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline is CCOc1ccccc1NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline?
The InChIKey is IOAJRUGHJGWLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-2-19-16-6-4-3-5-15(16)18-11-12-20-14-9-7-13(17)8-10-14/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline?
N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline has a molecular weight of 336.23 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline is sourced from PubChem (CID 63488256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).