N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine

C14H23NO4S — CID 105035305

IUPACN-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1ccccc1OCCOC
InChIInChI=1S/C14H23NO4S/c1-4-15-13(11-20(3,16)17)12-7-5-6-8-14(12)19-10-9-18-2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyRGHRKZDIGUBQHZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.41
Rot. Bonds9

About N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine

N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine (PubChem CID 105035305) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
PubChem CID105035305
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1ccccc1OCCOC
InChIInChI=1S/C14H23NO4S/c1-4-15-13(11-20(3,16)17)12-7-5-6-8-14(12)19-10-9-18-2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyRGHRKZDIGUBQHZ-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.41
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

N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64675860
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine?
The IUPAC name of N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine (CID 105035305) is N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine is CCNC(CS(C)(=O)=O)c1ccccc1OCCOC.
What is the InChIKey of N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine?
The InChIKey is RGHRKZDIGUBQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-15-13(11-20(3,16)17)12-7-5-6-8-14(12)19-10-9-18-2/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine?
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 105035305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).