(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine

C14H23NO4S — CID 106722435

IUPAC(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
SMILESCCCS(=O)(=O)CCOc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO4S/c1-4-8-20(16,17)9-7-19-14-10-12(18-3)5-6-13(14)11(2)15/h5-6,10-11H,4,7-9,15H2,1-3H3/t11-/m1/s1
InChIKeyMHISHHQPVMCLFE-LLVKDONJSA-N
MW301.41 g/mol
LogP1.92
Rot. Bonds8

About (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine

(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine (PubChem CID 106722435) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
PubChem CID106722435
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
SMILESCCCS(=O)(=O)CCOc1cc(OC)ccc1[C@@H](C)N
InChIInChI=1S/C14H23NO4S/c1-4-8-20(16,17)9-7-19-14-10-12(18-3)5-6-13(14)11(2)15/h5-6,10-11H,4,7-9,15H2,1-3H3/t11-/m1/s1
InChIKeyMHISHHQPVMCLFE-LLVKDONJSA-N
XLogP1.92
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine (CID 106722435) is (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine is CCCS(=O)(=O)CCOc1cc(OC)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is MHISHHQPVMCLFE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-8-20(16,17)9-7-19-14-10-12(18-3)5-6-13(14)11(2)15/h5-6,10-11H,4,7-9,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine?
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 106722435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).