2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine

C17H20ClNOS — CID 114792263

IUPAC2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CS(=O)Cc1ccc(Cl)cc1)c1cccc(C)c1
InChIInChI=1S/C17H20ClNOS/c1-13-4-3-5-15(10-13)17(19-2)12-21(20)11-14-6-8-16(18)9-7-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyYGLFYIQLNICFJT-UHFFFAOYSA-N
MW321.87 g/mol
LogP3.86
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine

2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 114792263) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine
PubChem CID114792263
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CS(=O)Cc1ccc(Cl)cc1)c1cccc(C)c1
InChIInChI=1S/C17H20ClNOS/c1-13-4-3-5-15(10-13)17(19-2)12-21(20)11-14-6-8-16(18)9-7-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyYGLFYIQLNICFJT-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(2-methylphenyl)ethanamine
CID 114792133
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558
N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine
CID 64659185
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882
N,3,3-trimethyl-1-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659770
2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55095022
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
CID 64659975
2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine (CID 114792263) is 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine is CNC(CS(=O)Cc1ccc(Cl)cc1)c1cccc(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine?
The InChIKey is YGLFYIQLNICFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-13-4-3-5-15(10-13)17(19-2)12-21(20)11-14-6-8-16(18)9-7-14/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine?
2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine has a molecular weight of 321.87 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 114792263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).