1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine

C15H25NO3S — CID 64631767

IUPAC1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
SMILESCC(CS(C)(=O)=O)NC(C)c1ccccc1OC(C)C
InChIInChI=1S/C15H25NO3S/c1-11(2)19-15-9-7-6-8-14(15)13(4)16-12(3)10-20(5,17)18/h6-9,11-13,16H,10H2,1-5H3
InChIKeyWCFFGSDNAUEXKS-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds7

About 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine

1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine (PubChem CID 64631767) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
PubChem CID64631767
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
SMILESCC(CS(C)(=O)=O)NC(C)c1ccccc1OC(C)C
InChIInChI=1S/C15H25NO3S/c1-11(2)19-15-9-7-6-8-14(15)13(4)16-12(3)10-20(5,17)18/h6-9,11-13,16H,10H2,1-5H3
InChIKeyWCFFGSDNAUEXKS-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
1-methylsulfonyl-N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 64629572
1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
CID 112686035
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine (CID 64631767) is 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine is CC(CS(C)(=O)=O)NC(C)c1ccccc1OC(C)C.
What is the InChIKey of 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine?
The InChIKey is WCFFGSDNAUEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11(2)19-15-9-7-6-8-14(15)13(4)16-12(3)10-20(5,17)18/h6-9,11-13,16H,10H2,1-5H3.
What are the key properties of 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine?
1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 64631767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).