N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine

C14H23NO3S — CID 61168340

IUPACN-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)COc1ccc(C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-19(16,17)10-9-15-13(3)11-18-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyNGFNYZXUNVNWCJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.79
Rot. Bonds8

About N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine

N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine (PubChem CID 61168340) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
PubChem CID61168340
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
SMILESCCS(=O)(=O)CCNC(C)COc1ccc(C)cc1
InChIInChI=1S/C14H23NO3S/c1-4-19(16,17)10-9-15-13(3)11-18-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyNGFNYZXUNVNWCJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
N',N'-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]propane-1,3-diamine
CID 114525099
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
CID 95125733
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide
CID 97243809
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine (CID 61168340) is N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine is CCS(=O)(=O)CCNC(C)COc1ccc(C)cc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is NGFNYZXUNVNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-19(16,17)10-9-15-13(3)11-18-14-7-5-12(2)6-8-14/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine?
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 61168340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).