2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine

C17H20ClNOS — CID 103290948

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSCc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H20ClNOS/c1-19-17(13-7-9-15(20-2)10-8-13)12-21-11-14-5-3-4-6-16(14)18/h3-10,17,19H,11-12H2,1-2H3
InChIKeyUDRHGRAKUSCGJV-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.54
Rot. Bonds7

About 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine

2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 103290948) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID103290948
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSCc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H20ClNOS/c1-19-17(13-7-9-15(20-2)10-8-13)12-21-11-14-5-3-4-6-16(14)18/h3-10,17,19H,11-12H2,1-2H3
InChIKeyUDRHGRAKUSCGJV-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
CID 103291082
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone
CID 103289071
2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64621974
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511567

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine (CID 103290948) is 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine is CNC(CSCc1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is UDRHGRAKUSCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-19-17(13-7-9-15(20-2)10-8-13)12-21-11-14-5-3-4-6-16(14)18/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 321.87 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 103290948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).