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

C12H19NS — CID 117299551

IUPAC2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cc(C)ccc1CC(C)(C)N
InChIInChI=1S/C12H19NS/c1-9-5-6-10(8-12(2,3)13)11(7-9)14-4/h5-7H,8,13H2,1-4H3
InChIKeyAMZLTZMOBSYTEE-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.00
Rot. Bonds3

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

2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine (PubChem CID 117299551) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine
PubChem CID117299551
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cc(C)ccc1CC(C)(C)N
InChIInChI=1S/C12H19NS/c1-9-5-6-10(8-12(2,3)13)11(7-9)14-4/h5-7H,8,13H2,1-4H3
InChIKeyAMZLTZMOBSYTEE-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine (CID 117299551) is 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine is CSc1cc(C)ccc1CC(C)(C)N.
What is the InChIKey of 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine?
The InChIKey is AMZLTZMOBSYTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-5-6-10(8-12(2,3)13)11(7-9)14-4/h5-7H,8,13H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine?
2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117299551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).