2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine

C16H19ClN2OS — CID 64629637

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccccc1C(CSc1ccc(Cl)cn1)NC
InChIInChI=1S/C16H19ClN2OS/c1-3-20-15-7-5-4-6-13(15)14(18-2)11-21-16-9-8-12(17)10-19-16/h4-10,14,18H,3,11H2,1-2H3
InChIKeyVXZPMLMMJYXJAR-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.19
Rot. Bonds7

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine

2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine (PubChem CID 64629637) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine
PubChem CID64629637
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccccc1C(CSc1ccc(Cl)cn1)NC
InChIInChI=1S/C16H19ClN2OS/c1-3-20-15-7-5-4-6-13(15)14(18-2)11-21-16-9-8-12(17)10-19-16/h4-10,14,18H,3,11H2,1-2H3
InChIKeyVXZPMLMMJYXJAR-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
CID 64631470
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 64630473
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 61270632
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
CID 64629033
[2-(3-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105237797
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533845
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533934

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine (CID 64629637) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine is CCOc1ccccc1C(CSc1ccc(Cl)cn1)NC.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine?
The InChIKey is VXZPMLMMJYXJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-3-20-15-7-5-4-6-13(15)14(18-2)11-21-16-9-8-12(17)10-19-16/h4-10,14,18H,3,11H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine has a molecular weight of 322.86 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64629637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).