1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine

C12H19NS — CID 117299560

IUPAC1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cc(C)c(C)c(CC(C)N)c1
InChIInChI=1S/C12H19NS/c1-8-5-12(14-4)7-11(10(8)3)6-9(2)13/h5,7,9H,6,13H2,1-4H3
InChIKeyWMJCINDSBYKINI-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.92
Rot. Bonds3

About 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine

1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine (PubChem CID 117299560) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine
PubChem CID117299560
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cc(C)c(C)c(CC(C)N)c1
InChIInChI=1S/C12H19NS/c1-8-5-12(14-4)7-11(10(8)3)6-9(2)13/h5,7,9H,6,13H2,1-4H3
InChIKeyWMJCINDSBYKINI-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine (CID 117299560) is 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine is CSc1cc(C)c(C)c(CC(C)N)c1.
What is the InChIKey of 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine?
The InChIKey is WMJCINDSBYKINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-5-12(14-4)7-11(10(8)3)6-9(2)13/h5,7,9H,6,13H2,1-4H3.
What are the key properties of 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine?
1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117299560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).