N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine

C17H22N2O2S — CID 71874191

IUPACN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCOc1cc(CN(C)Cc2cccnc2)c(SC)cc1OC
InChIInChI=1S/C17H22N2O2S/c1-19(11-13-6-5-7-18-10-13)12-14-8-15(20-2)16(21-3)9-17(14)22-4/h5-10H,11-12H2,1-4H3
InChIKeyFPDSZLPABIHMQU-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.45
Rot. Bonds7

About N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 71874191) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID71874191
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCOc1cc(CN(C)Cc2cccnc2)c(SC)cc1OC
InChIInChI=1S/C17H22N2O2S/c1-19(11-13-6-5-7-18-10-13)12-14-8-15(20-2)16(21-3)9-17(14)22-4/h5-10H,11-12H2,1-4H3
InChIKeyFPDSZLPABIHMQU-UHFFFAOYSA-N
XLogP3.45
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
CID 165425270
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
4-fluoro-5-methoxy-1-N-methyl-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 55215876
3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
CID 114480999
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 62470634
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N'-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N'-methylmethanediamine
CID 115225983

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 71874191) is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is COc1cc(CN(C)Cc2cccnc2)c(SC)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is FPDSZLPABIHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-19(11-13-6-5-7-18-10-13)12-14-8-15(20-2)16(21-3)9-17(14)22-4/h5-10H,11-12H2,1-4H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 318.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 71874191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).