N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine

C15H25NO4S — CID 64647101

IUPACN-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC)c(CS(=O)(=O)CCOC)c1
InChIInChI=1S/C15H25NO4S/c1-5-16-12(2)13-6-7-15(20-4)14(10-13)11-21(17,18)9-8-19-3/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyFJYFIVKRBYPEKQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.93
Rot. Bonds9

About N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine

N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine (PubChem CID 64647101) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
PubChem CID64647101
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC)c(CS(=O)(=O)CCOC)c1
InChIInChI=1S/C15H25NO4S/c1-5-16-12(2)13-6-7-15(20-4)14(10-13)11-21(17,18)9-8-19-3/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyFJYFIVKRBYPEKQ-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethanamine
CID 55112329
N-[[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]methyl]ethanamine
CID 64646928
1-[4-methoxy-3-(pentylsulfonylmethyl)phenyl]-N-methylethanamine
CID 107758662
1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
CID 81036797
N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190643
N-ethyl-1-[4-methoxy-3-(2-methylpropylsulfinylmethyl)phenyl]ethanamine
CID 64652652
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
N-ethyl-1-[4-methoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764159
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
N-ethyl-1-[4-methoxy-3-(pentylsulfanylmethyl)phenyl]ethanamine
CID 107763041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine (CID 64647101) is N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine is CCNC(C)c1ccc(OC)c(CS(=O)(=O)CCOC)c1.
What is the InChIKey of N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine?
The InChIKey is FJYFIVKRBYPEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-16-12(2)13-6-7-15(20-4)14(10-13)11-21(17,18)9-8-19-3/h6-7,10,12,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine?
N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine is sourced from PubChem (CID 64647101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).