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

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Related Compounds

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 74235459
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
N'-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N'-methylmethanediamine
CID 115225983
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl-methylamino]acetaldehyde
CID 115223153
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
CID 43065807
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl-methylamino]acetonitrile
CID 115131167
N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193852
N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 50968510
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
cis-(1S,2R)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine
CID 92554121

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).