N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine

C15H25NO2S — CID 64652330

IUPACN-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC)c1ccccc1OCC
InChIInChI=1S/C15H25NO2S/c1-4-11-16-14(12-19(17)6-3)13-9-7-8-10-15(13)18-5-2/h7-10,14,16H,4-6,11-12H2,1-3H3
InChIKeyAKZJGBZHMUZASY-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.89
Rot. Bonds9

About N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine

N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine (PubChem CID 64652330) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
PubChem CID64652330
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC)c1ccccc1OCC
InChIInChI=1S/C15H25NO2S/c1-4-11-16-14(12-19(17)6-3)13-9-7-8-10-15(13)18-5-2/h7-10,14,16H,4-6,11-12H2,1-3H3
InChIKeyAKZJGBZHMUZASY-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
N-[1-(2-methoxyphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760698
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine (CID 64652330) is N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine is CCCNC(CS(=O)CC)c1ccccc1OCC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine?
The InChIKey is AKZJGBZHMUZASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-11-16-14(12-19(17)6-3)13-9-7-8-10-15(13)18-5-2/h7-10,14,16H,4-6,11-12H2,1-3H3.
What are the key properties of N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine?
N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine is sourced from PubChem (CID 64652330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).