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

C15H25NO3S — CID 60915678

IUPAC1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-4-10-16-15(5-2)13-6-8-14(9-7-13)19-11-12-20(3,17)18/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyPUJZDHNLAZSWOE-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds9

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

1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 60915678) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
PubChem CID60915678
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-4-10-16-15(5-2)13-6-8-14(9-7-13)19-11-12-20(3,17)18/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyPUJZDHNLAZSWOE-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
1-(2-methylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64763839
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
CID 63364098
2,2-dimethyl-4-[4-[1-(propylamino)propyl]phenoxy]butanenitrile
CID 65246755
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine (CID 60915678) is 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCCS(C)(=O)=O)cc1.
What is the InChIKey of 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is PUJZDHNLAZSWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-10-16-15(5-2)13-6-8-14(9-7-13)19-11-12-20(3,17)18/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine?
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 60915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).