N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline

C15H26N2O3S — CID 62583401

IUPACN,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
SMILESCCN(CC)c1cccc(OCCNCCS(C)(=O)=O)c1
InChIInChI=1S/C15H26N2O3S/c1-4-17(5-2)14-7-6-8-15(13-14)20-11-9-16-10-12-21(3,18)19/h6-8,13,16H,4-5,9-12H2,1-3H3
InChIKeyYXHXVIZBUOCRLR-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.55
Rot. Bonds10

About N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline

N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline (PubChem CID 62583401) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
PubChem CID62583401
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
SMILESCCN(CC)c1cccc(OCCNCCS(C)(=O)=O)c1
InChIInChI=1S/C15H26N2O3S/c1-4-17(5-2)14-7-6-8-15(13-14)20-11-9-16-10-12-21(3,18)19/h6-8,13,16H,4-5,9-12H2,1-3H3
InChIKeyYXHXVIZBUOCRLR-UHFFFAOYSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62571065
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
N,N-diethyl-3-[2-(pentylamino)ethoxy]aniline
CID 63515922
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
CID 62582853
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62573370
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 81270109
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-(5-deuteriopentoxy)-N,N-diethylaniline
CID 163281862
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62584689
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline?
The IUPAC name of N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline (CID 62583401) is N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline.
What is the SMILES notation for N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline?
The canonical SMILES for N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline is CCN(CC)c1cccc(OCCNCCS(C)(=O)=O)c1.
What is the InChIKey of N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline?
The InChIKey is YXHXVIZBUOCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-17(5-2)14-7-6-8-15(13-14)20-11-9-16-10-12-21(3,18)19/h6-8,13,16H,4-5,9-12H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline?
N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline has a molecular weight of 314.45 g/mol, XLogP of 1.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline is sourced from PubChem (CID 62583401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).