1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine

C15H25NOS — CID 62693208

IUPAC1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H25NOS/c1-5-8-16-14(11-18-4)10-13-9-12(2)6-7-15(13)17-3/h6-7,9,14,16H,5,8,10-11H2,1-4H3
InChIKeyCEXIKIHACATWPI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.28
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine

1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine (PubChem CID 62693208) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
PubChem CID62693208
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H25NOS/c1-5-8-16-14(11-18-4)10-13-9-12(2)6-7-15(13)17-3/h6-7,9,14,16H,5,8,10-11H2,1-4H3
InChIKeyCEXIKIHACATWPI-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine (CID 62693208) is 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The InChIKey is CEXIKIHACATWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-8-16-14(11-18-4)10-13-9-12(2)6-7-15(13)17-3/h6-7,9,14,16H,5,8,10-11H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 62693208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).