N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine

C18H23ClN2O2S — CID 171797166

IUPACN-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine
SMILESCOc1cc(SC)c(OC)cc1CCNCc1cc(Cl)cc(C)n1
InChIInChI=1S/C18H23ClN2O2S/c1-12-7-14(19)9-15(21-12)11-20-6-5-13-8-17(23-3)18(24-4)10-16(13)22-2/h7-10,20H,5-6,11H2,1-4H3
InChIKeyNAJIVVQUPXIEJC-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.11
Rot. Bonds8

About N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine

N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine (PubChem CID 171797166) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine
PubChem CID171797166
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine
SMILESCOc1cc(SC)c(OC)cc1CCNCc1cc(Cl)cc(C)n1
InChIInChI=1S/C18H23ClN2O2S/c1-12-7-14(19)9-15(21-12)11-20-6-5-13-8-17(23-3)18(24-4)10-16(13)22-2/h7-10,20H,5-6,11H2,1-4H3
InChIKeyNAJIVVQUPXIEJC-UHFFFAOYSA-N
XLogP4.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine 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

N-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethyl]acetamide
CID 86043168
N-[2-[4-(fluoromethylsulfanyl)-2,5-dimethoxyphenyl]ethyl]propan-1-amine
CID 169149430
N'-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-methylmethanediamine
CID 115226937
3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanenitrile
CID 116927396
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pentan-1-amine
CID 64989480
2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 2163779

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine (CID 171797166) is N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine is COc1cc(SC)c(OC)cc1CCNCc1cc(Cl)cc(C)n1.
What is the InChIKey of N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine?
The InChIKey is NAJIVVQUPXIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-12-7-14(19)9-15(21-12)11-20-6-5-13-8-17(23-3)18(24-4)10-16(13)22-2/h7-10,20H,5-6,11H2,1-4H3.
What are the key properties of N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine?
N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine has a molecular weight of 366.91 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methyl-2-pyridinyl)methyl]-2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 171797166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).