1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine

C13H21NOS — CID 64653780

IUPAC1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
SMILESCCc1ccc(C(CS(=O)CC)NC)cc1
InChIInChI=1S/C13H21NOS/c1-4-11-6-8-12(9-7-11)13(14-3)10-16(15)5-2/h6-9,13-14H,4-5,10H2,1-3H3
InChIKeyRFOCYFHZGQCZEQ-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.28
Rot. Bonds6

About 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine

1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine (PubChem CID 64653780) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
PubChem CID64653780
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
SMILESCCc1ccc(C(CS(=O)CC)NC)cc1
InChIInChI=1S/C13H21NOS/c1-4-11-6-8-12(9-7-11)13(14-3)10-16(15)5-2/h6-9,13-14H,4-5,10H2,1-3H3
InChIKeyRFOCYFHZGQCZEQ-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
1-(4-ethylphenyl)-2-ethylsulfinylethanamine
CID 64653160
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80579849
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
CID 106496342
2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine (CID 64653780) is 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine is CCc1ccc(C(CS(=O)CC)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine?
The InChIKey is RFOCYFHZGQCZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-11-6-8-12(9-7-11)13(14-3)10-16(15)5-2/h6-9,13-14H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine?
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine is sourced from PubChem (CID 64653780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).