N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine

C15H25NO4S — CID 64675860

IUPACN-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)CCCOC)c1ccccc1OC
InChIInChI=1S/C15H25NO4S/c1-4-16-14(12-21(17,18)11-7-10-19-2)13-8-5-6-9-15(13)20-3/h5-6,8-9,14,16H,4,7,10-12H2,1-3H3
InChIKeyPZTGOKFIYLTBQM-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.80
Rot. Bonds10

About N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine

N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine (PubChem CID 64675860) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
PubChem CID64675860
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)CCCOC)c1ccccc1OC
InChIInChI=1S/C15H25NO4S/c1-4-16-14(12-21(17,18)11-7-10-19-2)13-8-5-6-9-15(13)20-3/h5-6,8-9,14,16H,4,7,10-12H2,1-3H3
InChIKeyPZTGOKFIYLTBQM-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 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 ≤ 51.80
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-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
2-butylsulfonyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64675735
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512
methyl 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfonylpropanoate
CID 64676345
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine (CID 64675860) is N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine is CCNC(CS(=O)(=O)CCCOC)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine?
The InChIKey is PZTGOKFIYLTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-16-14(12-21(17,18)11-7-10-19-2)13-8-5-6-9-15(13)20-3/h5-6,8-9,14,16H,4,7,10-12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine?
N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine has a molecular weight of 315.44 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanamine is sourced from PubChem (CID 64675860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).