1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine

C15H25NO3S — CID 115889898

IUPAC1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-6-20(17,18)10-12(3)16-13(4)14-9-11(2)7-8-15(14)19-5/h7-9,12-13,16H,6,10H2,1-5H3
InChIKeyMRAUXOWOCFRVNK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.48
Rot. Bonds7

About 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine

1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine (PubChem CID 115889898) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
PubChem CID115889898
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-6-20(17,18)10-12(3)16-13(4)14-9-11(2)7-8-15(14)19-5/h7-9,12-13,16H,6,10H2,1-5H3
InChIKeyMRAUXOWOCFRVNK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-methylsulfonylbutan-2-amine
CID 97323733
4-ethylsulfanyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butan-2-amine
CID 115725477
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
1-bromo-N-[1-(2-methoxy-5-methylphenyl)ethyl]methanesulfonamide
CID 83084664
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide
CID 103901999
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine (CID 115889898) is 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine is CCS(=O)(=O)CC(C)NC(C)c1cc(C)ccc1OC.
What is the InChIKey of 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine?
The InChIKey is MRAUXOWOCFRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-6-20(17,18)10-12(3)16-13(4)14-9-11(2)7-8-15(14)19-5/h7-9,12-13,16H,6,10H2,1-5H3.
What are the key properties of 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine?
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115889898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).