N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

C19H24N2O2S — CID 77084818

IUPACN-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
SMILESCOc1cc(SC)c(OC)cc1CN(Cc1ccncc1)C1CC1
InChIInChI=1S/C19H24N2O2S/c1-22-17-11-19(24-3)18(23-2)10-15(17)13-21(16-4-5-16)12-14-6-8-20-9-7-14/h6-11,16H,4-5,12-13H2,1-3H3
InChIKeyLEWWAGDWQGZASV-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.99
Rot. Bonds8

About N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine (PubChem CID 77084818) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
PubChem CID77084818
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
SMILESCOc1cc(SC)c(OC)cc1CN(Cc1ccncc1)C1CC1
InChIInChI=1S/C19H24N2O2S/c1-22-17-11-19(24-3)18(23-2)10-15(17)13-21(16-4-5-16)12-14-6-8-20-9-7-14/h6-11,16H,4-5,12-13H2,1-3H3
InChIKeyLEWWAGDWQGZASV-UHFFFAOYSA-N
XLogP3.99
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine (CID 77084818) is N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine is COc1cc(SC)c(OC)cc1CN(Cc1ccncc1)C1CC1.
What is the InChIKey of N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
The InChIKey is LEWWAGDWQGZASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-22-17-11-19(24-3)18(23-2)10-15(17)13-21(16-4-5-16)12-14-6-8-20-9-7-14/h6-11,16H,4-5,12-13H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine?
N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine has a molecular weight of 344.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 77084818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).