2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine

C15H17ClN2OS — CID 64630473

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1ncccc1Cl)c1ccccc1OC
InChIInChI=1S/C15H17ClN2OS/c1-17-13(11-6-3-4-8-14(11)19-2)10-20-15-12(16)7-5-9-18-15/h3-9,13,17H,10H2,1-2H3
InChIKeyQMVWHXQTGNNWEE-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.80
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 64630473) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
PubChem CID64630473
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1ncccc1Cl)c1ccccc1OC
InChIInChI=1S/C15H17ClN2OS/c1-17-13(11-6-3-4-8-14(11)19-2)10-20-15-12(16)7-5-9-18-15/h3-9,13,17H,10H2,1-2H3
InChIKeyQMVWHXQTGNNWEE-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 82792566
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine
CID 64629637
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594
N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649227
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
CID 66138442
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 114053820

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine (CID 64630473) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine is CNC(CSc1ncccc1Cl)c1ccccc1OC.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is QMVWHXQTGNNWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-17-13(11-6-3-4-8-14(11)19-2)10-20-15-12(16)7-5-9-18-15/h3-9,13,17H,10H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 308.83 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64630473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).