2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine

C15H25NO4S — CID 65095267

IUPAC2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCCCS(=O)(=O)CC
InChIInChI=1S/C15H25NO4S/c1-3-19-14-8-5-7-13(9-10-16)15(14)20-11-6-12-21(17,18)4-2/h5,7-8H,3-4,6,9-12,16H2,1-2H3
InChIKeyZDPRSECQPQBTLT-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.79
Rot. Bonds10

About 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine

2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine (PubChem CID 65095267) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
PubChem CID65095267
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCCCS(=O)(=O)CC
InChIInChI=1S/C15H25NO4S/c1-3-19-14-8-5-7-13(9-10-16)15(14)20-11-6-12-21(17,18)4-2/h5,7-8H,3-4,6,9-12,16H2,1-2H3
InChIKeyZDPRSECQPQBTLT-UHFFFAOYSA-N
XLogP1.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.79
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-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[3-bromo-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095620
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-chloro-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728453

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine (CID 65095267) is 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine is CCOc1cccc(CCN)c1OCCCS(=O)(=O)CC.
What is the InChIKey of 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine?
The InChIKey is ZDPRSECQPQBTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-3-19-14-8-5-7-13(9-10-16)15(14)20-11-6-12-21(17,18)4-2/h5,7-8H,3-4,6,9-12,16H2,1-2H3.
What are the key properties of 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine?
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 65095267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).