2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine

C15H16ClNO2S — CID 64658769

IUPAC2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CS(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2S/c1-19-13-6-2-4-11(8-13)15(17)10-20(18)14-7-3-5-12(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyQCPOYPKWDIVVBS-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine

2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 64658769) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
PubChem CID64658769
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CS(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2S/c1-19-13-6-2-4-11(8-13)15(17)10-20(18)14-7-3-5-12(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyQCPOYPKWDIVVBS-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine
CID 64660330
2-cyclopentylsulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64654219
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 115477299
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine (CID 64658769) is 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CS(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is QCPOYPKWDIVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-19-13-6-2-4-11(8-13)15(17)10-20(18)14-7-3-5-12(16)9-14/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine?
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 309.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 64658769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).