3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline

C16H18BrNO2 — CID 62573032

IUPAC3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
SMILESCCOc1ccccc1OCCNc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-2-19-15-8-3-4-9-16(15)20-11-10-18-14-7-5-6-13(17)12-14/h3-9,12,18H,2,10-11H2,1H3
InChIKeyDXQORKLRODMIEJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.34
Rot. Bonds7

About 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline

3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline (PubChem CID 62573032) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
PubChem CID62573032
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
SMILESCCOc1ccccc1OCCNc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-2-19-15-8-3-4-9-16(15)20-11-10-18-14-7-5-6-13(17)12-14/h3-9,12,18H,2,10-11H2,1H3
InChIKeyDXQORKLRODMIEJ-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

3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505711
3-bromo-N-[2-(2-bromo-4-fluorophenoxy)ethyl]aniline
CID 63505886
2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
CID 107635868
3-bromo-5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 82861158
N-[2-(4-bromo-2-methylphenoxy)ethyl]aniline
CID 63214405
3-bromo-N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]aniline
CID 63504584
ethyl 2-[2-(3-bromoanilino)ethoxy]acetate
CID 103234447
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline?
The IUPAC name of 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline (CID 62573032) is 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline?
The canonical SMILES for 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline is CCOc1ccccc1OCCNc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline?
The InChIKey is DXQORKLRODMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-2-19-15-8-3-4-9-16(15)20-11-10-18-14-7-5-6-13(17)12-14/h3-9,12,18H,2,10-11H2,1H3.
What are the key properties of 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline?
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline 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 3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 62573032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).