1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine

C14H23NOS — CID 64651139

IUPAC1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(NC)c1ccc(CC)cc1
InChIInChI=1S/C14H23NOS/c1-4-10-17(16)11-14(15-3)13-8-6-12(5-2)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyMYUIBYSQTINYHF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds7

About 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine

1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine (PubChem CID 64651139) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
PubChem CID64651139
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(NC)c1ccc(CC)cc1
InChIInChI=1S/C14H23NOS/c1-4-10-17(16)11-14(15-3)13-8-6-12(5-2)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyMYUIBYSQTINYHF-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
CID 106496342
1-(1,3-benzodioxol-5-yl)-N-methyl-2-pentylsulfinylethanamine
CID 107758959
1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine
CID 64660125
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64652367
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine (CID 64651139) is 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine is CCCS(=O)CC(NC)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine?
The InChIKey is MYUIBYSQTINYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-10-17(16)11-14(15-3)13-8-6-12(5-2)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine?
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine is sourced from PubChem (CID 64651139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).