2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine

C16H18ClNO2S — CID 103290531

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)CS(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-20-16-9-5-3-7-13(16)15(18)11-21(19)10-12-6-2-4-8-14(12)17/h2-9,15H,10-11,18H2,1H3
InChIKeyJCHKWXIBRLBZLA-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.30
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine

2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 103290531) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID103290531
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)CS(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-20-16-9-5-3-7-13(16)15(18)11-21(19)10-12-6-2-4-8-14(12)17/h2-9,15H,10-11,18H2,1H3
InChIKeyJCHKWXIBRLBZLA-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
CID 103290458
1-(2-methoxyphenyl)-2-propylsulfinylethanamine
CID 64652580
2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
CID 114232067
1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759587
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
3-[(2-chlorophenyl)methylsulfinylmethyl]-4-methoxybenzonitrile
CID 103291275
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-[[(R)-(2-chlorophenyl)methylsulfinyl]methyl]-1-methoxy-4-nitrobenzene
CID 99833053
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine (CID 103290531) is 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(N)CS(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is JCHKWXIBRLBZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-20-16-9-5-3-7-13(16)15(18)11-21(19)10-12-6-2-4-8-14(12)17/h2-9,15H,10-11,18H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine?
2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 323.85 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 103290531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).