1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine

C16H27NO3S — CID 115495201

IUPAC1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(OCCS(=O)(=O)CC)cc1
InChIInChI=1S/C16H27NO3S/c1-4-10-17-14(3)13-15-6-8-16(9-7-15)20-11-12-21(18,19)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyCXJOTNCMMHUIQA-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.43
Rot. Bonds10

About 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine

1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine (PubChem CID 115495201) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
PubChem CID115495201
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(OCCS(=O)(=O)CC)cc1
InChIInChI=1S/C16H27NO3S/c1-4-10-17-14(3)13-15-6-8-16(9-7-15)20-11-12-21(18,19)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyCXJOTNCMMHUIQA-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
4-[2-(propylamino)propyl]benzenesulfonamide
CID 55219921
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine?
The IUPAC name of 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine (CID 115495201) is 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(OCCS(=O)(=O)CC)cc1.
What is the InChIKey of 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine?
The InChIKey is CXJOTNCMMHUIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-4-10-17-14(3)13-15-6-8-16(9-7-15)20-11-12-21(18,19)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine?
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine has a molecular weight of 313.46 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine is sourced from PubChem (CID 115495201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).