2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine

C16H25NO2S — CID 64656462

IUPAC2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CS(=O)C2CCOCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)13-3-5-14(6-4-13)16(17)11-20(18)15-7-9-19-10-8-15/h3-6,12,15-16H,7-11,17H2,1-2H3
InChIKeyREPKOEREUZSYOO-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.74
Rot. Bonds5

About 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine

2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 64656462) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID64656462
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CS(=O)C2CCOCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)13-3-5-14(6-4-13)16(17)11-20(18)15-7-9-19-10-8-15/h3-6,12,15-16H,7-11,17H2,1-2H3
InChIKeyREPKOEREUZSYOO-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylsulfinyl)-1-phenylethanamine
CID 64656265
1-(oxan-4-ylsulfinyl)butan-2-amine
CID 64656469
1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64657070
1-[4-ethoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64656268
3-amino-4-(oxan-4-ylsulfinyl)butan-1-ol
CID 64929123
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine
CID 64655048
N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(R)-oxan-4-ylsulfinyl]acetamide
CID 99841899
[4-(oxan-4-ylsulfinylmethyl)phenyl]methanamine
CID 81332801
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639953
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64655258

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 64656462) is 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)CS(=O)C2CCOCC2)cc1.
What is the InChIKey of 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is REPKOEREUZSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(2)13-3-5-14(6-4-13)16(17)11-20(18)15-7-9-19-10-8-15/h3-6,12,15-16H,7-11,17H2,1-2H3.
What are the key properties of 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 295.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfinyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 64656462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).