2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine

C17H20ClNOS — CID 103290458

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)Cc2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H20ClNOS/c1-12-7-8-15(13(2)9-12)17(19)11-21(20)10-14-5-3-4-6-16(14)18/h3-9,17H,10-11,19H2,1-2H3
InChIKeyQCAVOJVWCUBIFE-UHFFFAOYSA-N
MW321.87 g/mol
LogP3.91
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine

2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 103290458) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
PubChem CID103290458
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)Cc2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H20ClNOS/c1-12-7-8-15(13(2)9-12)17(19)11-21(20)10-14-5-3-4-6-16(14)18/h3-9,17H,10-11,19H2,1-2H3
InChIKeyQCAVOJVWCUBIFE-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
CID 103290531
2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
CID 114792211
1-[[(R)-(2-chlorophenyl)methylsulfinyl]methyl]-3,5-dimethylbenzene
CID 95329943
2-(2,5-dichlorophenyl)-1-(2,4-dimethylphenyl)ethanamine
CID 115862990
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63932433

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine (CID 103290458) is 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)CS(=O)Cc2ccccc2Cl)c(C)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is QCAVOJVWCUBIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-12-7-8-15(13(2)9-12)17(19)11-21(20)10-14-5-3-4-6-16(14)18/h3-9,17H,10-11,19H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine?
2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 321.87 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 103290458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).