N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine

C15H25NO4S — CID 64644798

IUPACN-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4S/c1-5-9-16-14(11-21(17,18)6-2)13-8-7-12(19-3)10-15(13)20-4/h7-8,10,14,16H,5-6,9,11H2,1-4H3
InChIKeyFXYQLJHSABHXKF-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.18
Rot. Bonds9

About N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine

N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine (PubChem CID 64644798) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
PubChem CID64644798
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4S/c1-5-9-16-14(11-21(17,18)6-2)13-8-7-12(19-3)10-15(13)20-4/h7-8,10,14,16H,5-6,9,11H2,1-4H3
InChIKeyFXYQLJHSABHXKF-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine (CID 64644798) is N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine is CCCNC(CS(=O)(=O)CC)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine?
The InChIKey is FXYQLJHSABHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-9-16-14(11-21(17,18)6-2)13-8-7-12(19-3)10-15(13)20-4/h7-8,10,14,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine?
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine has a molecular weight of 315.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine is sourced from PubChem (CID 64644798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).