3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline

C13H20BrNO4 — CID 103588205

IUPAC3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
SMILESCOCCOCCOCCOc1cc(N)cc(Br)c1
InChIInChI=1S/C13H20BrNO4/c1-16-2-3-17-4-5-18-6-7-19-13-9-11(14)8-12(15)10-13/h8-10H,2-7,15H2,1H3
InChIKeyOQFSOLXEYAAOAX-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.09
Rot. Bonds10

About 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline

3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline (PubChem CID 103588205) has the molecular formula C13H20BrNO4 and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline.

Molecular Properties

Compound Name3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
PubChem CID103588205
Molecular FormulaC13H20BrNO4
Molecular Weight334.21 g/mol
Exact Mass333.06
IUPAC Name3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
SMILESCOCCOCCOCCOc1cc(N)cc(Br)c1
InChIInChI=1S/C13H20BrNO4/c1-16-2-3-17-4-5-18-6-7-19-13-9-11(14)8-12(15)10-13/h8-10H,2-7,15H2,1H3
InChIKeyOQFSOLXEYAAOAX-UHFFFAOYSA-N
XLogP2.09
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
3-bromo-5-(3-ethoxypropoxy)aniline
CID 103588246
3-bromo-5-octoxyaniline
CID 103588114
3-(3-amino-5-bromophenoxy)propan-1-ol
CID 103588186
3-bromo-5-(2-ethylsulfonylethoxy)aniline
CID 103588124
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
3-bromo-5-(2-ethylsulfanylethoxy)aniline
CID 103588150
1-bromo-3-(2-methoxyethoxy)-5-methylsulfanylbenzene
CID 162523352
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
3-bromo-5-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103406961
3-bromo-5-(2-cyclopropylethoxy)aniline
CID 103588286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline?
The IUPAC name of 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline (CID 103588205) is 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline.
What is the SMILES notation for 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline?
The canonical SMILES for 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline is COCCOCCOCCOc1cc(N)cc(Br)c1.
What is the InChIKey of 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline?
The InChIKey is OQFSOLXEYAAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4/c1-16-2-3-17-4-5-18-6-7-19-13-9-11(14)8-12(15)10-13/h8-10H,2-7,15H2,1H3.
What are the key properties of 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline?
3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline has a molecular weight of 334.21 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline is sourced from PubChem (CID 103588205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).