N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline

C17H19Cl2NO2 — CID 54550055

IUPACN-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
SMILESCCN(CCOc1cc(Cl)ccc1Cl)c1cccc(OC)c1
InChIInChI=1S/C17H19Cl2NO2/c1-3-20(14-5-4-6-15(12-14)21-2)9-10-22-17-11-13(18)7-8-16(17)19/h4-8,11-12H,3,9-10H2,1-2H3
InChIKeyZJGWYYIOCRUMKM-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.91
Rot. Bonds7

About N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline

N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline (PubChem CID 54550055) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
PubChem CID54550055
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC NameN-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
SMILESCCN(CCOc1cc(Cl)ccc1Cl)c1cccc(OC)c1
InChIInChI=1S/C17H19Cl2NO2/c1-3-20(14-5-4-6-15(12-14)21-2)9-10-22-17-11-13(18)7-8-16(17)19/h4-8,11-12H,3,9-10H2,1-2H3
InChIKeyZJGWYYIOCRUMKM-UHFFFAOYSA-N
XLogP4.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
3-(N-ethyl-3-methoxyanilino)propanenitrile
CID 53425340
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate
CID 54399203
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline?
The IUPAC name of N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline (CID 54550055) is N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline.
What is the SMILES notation for N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline?
The canonical SMILES for N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline is CCN(CCOc1cc(Cl)ccc1Cl)c1cccc(OC)c1.
What is the InChIKey of N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline?
The InChIKey is ZJGWYYIOCRUMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-3-20(14-5-4-6-15(12-14)21-2)9-10-22-17-11-13(18)7-8-16(17)19/h4-8,11-12H,3,9-10H2,1-2H3.
What are the key properties of N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline?
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline has a molecular weight of 340.25 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline is sourced from PubChem (CID 54550055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).