2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

C15H25NOS — CID 64612602

IUPAC2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCCC(C)SCC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NOS/c1-6-12(3)18-10-14(16-4)13-9-11(2)7-8-15(13)17-5/h7-9,12,14,16H,6,10H2,1-5H3
InChIKeyIOQXSHPCDDRUJV-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.80
Rot. Bonds7

About 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 64612602) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID64612602
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCCC(C)SCC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NOS/c1-6-12(3)18-10-14(16-4)13-9-11(2)7-8-15(13)17-5/h7-9,12,14,16H,6,10H2,1-5H3
InChIKeyIOQXSHPCDDRUJV-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
methyl 3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]sulfanylpropanoate
CID 64612897
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64619425
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 65136479

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 64612602) is 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is CCC(C)SCC(NC)c1cc(C)ccc1OC.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is IOQXSHPCDDRUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-6-12(3)18-10-14(16-4)13-9-11(2)7-8-15(13)17-5/h7-9,12,14,16H,6,10H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 64612602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).