N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine

C14H23NOS — CID 113261809

IUPACN-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1cc(C)ccc1C(C)NC(C)CSC
InChIInChI=1S/C14H23NOS/c1-10-6-7-13(14(8-10)16-4)12(3)15-11(2)9-17-5/h6-8,11-12,15H,9H2,1-5H3
InChIKeyPLIWGOOBFSBXIS-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine

N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 113261809) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID113261809
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1cc(C)ccc1C(C)NC(C)CSC
InChIInChI=1S/C14H23NOS/c1-10-6-7-13(14(8-10)16-4)12(3)15-11(2)9-17-5/h6-8,11-12,15H,9H2,1-5H3
InChIKeyPLIWGOOBFSBXIS-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893267
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
N-[1-(2-methoxy-4-methylphenyl)ethyl]hex-1-yn-3-amine
CID 106227116
1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282283
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine (CID 113261809) is N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine is COc1cc(C)ccc1C(C)NC(C)CSC.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is PLIWGOOBFSBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-6-7-13(14(8-10)16-4)12(3)15-11(2)9-17-5/h6-8,11-12,15H,9H2,1-5H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 113261809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).