2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine

C16H18ClNOS — CID 64620494

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C16H18ClNOS/c1-18-15(12-7-9-13(19-2)10-8-12)11-20-16-6-4-3-5-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyQRWMXRUCMRTOBZ-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 64620494) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID64620494
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C16H18ClNOS/c1-18-15(12-7-9-13(19-2)10-8-12)11-20-16-6-4-3-5-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyQRWMXRUCMRTOBZ-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 82792566
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102647655
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 66140362
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine (CID 64620494) is 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine is CNC(CSc1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is QRWMXRUCMRTOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-18-15(12-7-9-13(19-2)10-8-12)11-20-16-6-4-3-5-14(16)17/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine?
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 307.85 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64620494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).