N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine

C11H17NS — CID 46882957

IUPACN-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCNC(C)Cc1ccc(SC)cc1
InChIInChI=1S/C11H17NS/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyWWHIYWVWPXXBTC-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.56
Rot. Bonds4

About N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine

N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine (PubChem CID 46882957) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
PubChem CID46882957
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCNC(C)Cc1ccc(SC)cc1
InChIInChI=1S/C11H17NS/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyWWHIYWVWPXXBTC-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine (CID 46882957) is N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine is CNC(C)Cc1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The InChIKey is WWHIYWVWPXXBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 46882957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).