2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

C13H19Cl2NO3 — CID 104561306

IUPAC2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-17-6-7-19-9-8-18-5-4-16-13-10-11(14)2-3-12(13)15/h2-3,10,16H,4-9H2,1H3
InChIKeyNRXPSVBYDWGIQF-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.08
Rot. Bonds10

About 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 104561306) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
PubChem CID104561306
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-17-6-7-19-9-8-18-5-4-16-13-10-11(14)2-3-12(13)15/h2-3,10,16H,4-9H2,1H3
InChIKeyNRXPSVBYDWGIQF-UHFFFAOYSA-N
XLogP3.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
5-chloro-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 62494859
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
CID 70287582
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
2,5-dichloro-N-(3,3-dimethylbutyl)aniline
CID 63418303
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2869977
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (CID 104561306) is 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is COCCOCCOCCNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is NRXPSVBYDWGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-17-6-7-19-9-8-18-5-4-16-13-10-11(14)2-3-12(13)15/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 308.20 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 104561306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).