1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine

C15H23NO3S — CID 64657070

IUPAC1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CS(=O)C1CCOCC1
InChIInChI=1S/C15H23NO3S/c1-11(16)12-3-4-15(18-2)13(9-12)10-20(17)14-5-7-19-8-6-14/h3-4,9,11,14H,5-8,10,16H2,1-2H3
InChIKeyQQPCXLORYPLBFW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine

1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine (PubChem CID 64657070) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
PubChem CID64657070
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CS(=O)C1CCOCC1
InChIInChI=1S/C15H23NO3S/c1-11(16)12-3-4-15(18-2)13(9-12)10-20(17)14-5-7-19-8-6-14/h3-4,9,11,14H,5-8,10,16H2,1-2H3
InChIKeyQQPCXLORYPLBFW-UHFFFAOYSA-N
XLogP2.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64656268
1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine
CID 64653784
2-methoxy-5-(oxan-4-ylsulfinylmethyl)aniline
CID 62989607
3-(cyclopentylsulfinylmethyl)-4-methoxyaniline
CID 55179443
2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 64656462
1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
CID 64673614
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
CID 79467860
1-[4-ethoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanone
CID 64638975
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine (CID 64657070) is 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine is COc1ccc(C(C)N)cc1CS(=O)C1CCOCC1.
What is the InChIKey of 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine?
The InChIKey is QQPCXLORYPLBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(16)12-3-4-15(18-2)13(9-12)10-20(17)14-5-7-19-8-6-14/h3-4,9,11,14H,5-8,10,16H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine?
1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine is sourced from PubChem (CID 64657070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).