N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine

C16H27NO3S — CID 106722425

IUPACN-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C16H27NO3S/c1-4-11-21(18,19)12-10-20-16-8-6-15(7-9-16)13-14(3)17-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeySQIFFSJCGORNPS-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.43
Rot. Bonds10

About N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine

N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine (PubChem CID 106722425) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
PubChem CID106722425
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C16H27NO3S/c1-4-11-21(18,19)12-10-20-16-8-6-15(7-9-16)13-14(3)17-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeySQIFFSJCGORNPS-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

1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342
N-methyl-4-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106722068
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
1-(chloromethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726467
1-(bromomethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726492
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine (CID 106722425) is N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine is CCCS(=O)(=O)CCOc1ccc(CC(C)NCC)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The InChIKey is SQIFFSJCGORNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-4-11-21(18,19)12-10-20-16-8-6-15(7-9-16)13-14(3)17-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-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 N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 106722425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).