1-(4-ethylphenyl)-2-ethylsulfinylethanamine

C12H19NOS — CID 64653160

IUPAC1-(4-ethylphenyl)-2-ethylsulfinylethanamine
SMILESCCc1ccc(C(N)CS(=O)CC)cc1
InChIInChI=1S/C12H19NOS/c1-3-10-5-7-11(8-6-10)12(13)9-15(14)4-2/h5-8,12H,3-4,9,13H2,1-2H3
InChIKeyGMGWYWHUHNGWHT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.02
Rot. Bonds5

About 1-(4-ethylphenyl)-2-ethylsulfinylethanamine

1-(4-ethylphenyl)-2-ethylsulfinylethanamine (PubChem CID 64653160) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-ethylsulfinylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-ethylsulfinylethanamine
PubChem CID64653160
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-ethylphenyl)-2-ethylsulfinylethanamine
SMILESCCc1ccc(C(N)CS(=O)CC)cc1
InChIInChI=1S/C12H19NOS/c1-3-10-5-7-11(8-6-10)12(13)9-15(14)4-2/h5-8,12H,3-4,9,13H2,1-2H3
InChIKeyGMGWYWHUHNGWHT-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
2-ethylsulfinyl-1-naphthalen-2-ylethanamine
CID 64652322
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-pentylsulfinyl-1-(4-propylphenyl)ethanamine
CID 107758972
1-phenyl-2-propylsulfinylethanamine
CID 64653199
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
CID 64653976
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
chloro-(4-ethylphenyl)methanamine
CID 116947710
alumane;1,4-diethylbenzene
CID 174296012
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-ethylsulfinylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-ethylsulfinylethanamine (CID 64653160) is 1-(4-ethylphenyl)-2-ethylsulfinylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-ethylsulfinylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-ethylsulfinylethanamine is CCc1ccc(C(N)CS(=O)CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-ethylsulfinylethanamine?
The InChIKey is GMGWYWHUHNGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-10-5-7-11(8-6-10)12(13)9-15(14)4-2/h5-8,12H,3-4,9,13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-ethylsulfinylethanamine?
1-(4-ethylphenyl)-2-ethylsulfinylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-ethylsulfinylethanamine is sourced from PubChem (CID 64653160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).