1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C17H27NO2S — CID 103743388

IUPAC1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCOc1cc(CNCC2(C(C)C)CC2)c(SC)cc1OC
InChIInChI=1S/C17H27NO2S/c1-12(2)17(6-7-17)11-18-10-13-8-14(19-3)15(20-4)9-16(13)21-5/h8-9,12,18H,6-7,10-11H2,1-5H3
InChIKeyXWCFOKKLZSSMMO-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.95
Rot. Bonds8

About 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 103743388) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID103743388
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCOc1cc(CNCC2(C(C)C)CC2)c(SC)cc1OC
InChIInChI=1S/C17H27NO2S/c1-12(2)17(6-7-17)11-18-10-13-8-14(19-3)15(20-4)9-16(13)21-5/h8-9,12,18H,6-7,10-11H2,1-5H3
InChIKeyXWCFOKKLZSSMMO-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673856
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 64988157
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115646551
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pentan-1-amine
CID 64989480
5-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]pentan-2-ol
CID 107267848
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64988879
1-cyclopropyl-2-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]ethanol
CID 64988404
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pent-4-en-2-amine
CID 115646570
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696344
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64988354

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 103743388) is 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is COc1cc(CNCC2(C(C)C)CC2)c(SC)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is XWCFOKKLZSSMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-12(2)17(6-7-17)11-18-10-13-8-14(19-3)15(20-4)9-16(13)21-5/h8-9,12,18H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 309.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103743388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).