N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine

C14H23NO2S — CID 115896056

IUPACN-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine
SMILESCCOc1ccccc1C(C)NCC(C)S(C)=O
InChIInChI=1S/C14H23NO2S/c1-5-17-14-9-7-6-8-13(14)12(3)15-10-11(2)18(4)16/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyWWCFXELOJLIJMC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.50
Rot. Bonds7

About N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine

N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115896056) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine
PubChem CID115896056
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine
SMILESCCOc1ccccc1C(C)NCC(C)S(C)=O
InChIInChI=1S/C14H23NO2S/c1-5-17-14-9-7-6-8-13(14)12(3)15-10-11(2)18(4)16/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyWWCFXELOJLIJMC-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
2-[1-(2-ethoxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900155
N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460376
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
N-[1-(2-ethoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 113350530
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine (CID 115896056) is N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine is CCOc1ccccc1C(C)NCC(C)S(C)=O.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is WWCFXELOJLIJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-17-14-9-7-6-8-13(14)12(3)15-10-11(2)18(4)16/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115896056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).