2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine

C15H25NO3S — CID 63982546

IUPAC2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(OC)c(CNCC(C)CSC)c(OC)c1
InChIInChI=1S/C15H25NO3S/c1-11(10-20-5)8-16-9-13-14(18-3)6-12(17-2)7-15(13)19-4/h6-7,11,16H,8-10H2,1-5H3
InChIKeyQNRPURZMJCGCKW-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.80
Rot. Bonds9

About 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine

2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 63982546) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID63982546
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(OC)c(CNCC(C)CSC)c(OC)c1
InChIInChI=1S/C15H25NO3S/c1-11(10-20-5)8-16-9-13-14(18-3)6-12(17-2)7-15(13)19-4/h6-7,11,16H,8-10H2,1-5H3
InChIKeyQNRPURZMJCGCKW-UHFFFAOYSA-N
XLogP2.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198564
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 119122577
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63982586
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63967269
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine (CID 63982546) is 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine is COc1cc(OC)c(CNCC(C)CSC)c(OC)c1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is QNRPURZMJCGCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11(10-20-5)8-16-9-13-14(18-3)6-12(17-2)7-15(13)19-4/h6-7,11,16H,8-10H2,1-5H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63982546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).