(2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine

C12H19NS — CID 91037934

IUPAC(2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine
SMILESCSCCc1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C12H19NS/c1-10(13)9-12-5-3-11(4-6-12)7-8-14-2/h3-6,10H,7-9,13H2,1-2H3/t10-/m1/s1
InChIKeyPVBJUXGOLXXEJG-SNVBAGLBSA-N
MW209.36 g/mol
LogP2.48
Rot. Bonds5

About (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine

(2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine (PubChem CID 91037934) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine
PubChem CID91037934
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine
SMILESCSCCc1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C12H19NS/c1-10(13)9-12-5-3-11(4-6-12)7-8-14-2/h3-6,10H,7-9,13H2,1-2H3/t10-/m1/s1
InChIKeyPVBJUXGOLXXEJG-SNVBAGLBSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine (CID 91037934) is (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine is CSCCc1ccc(C[C@@H](C)N)cc1.
What is the InChIKey of (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine?
The InChIKey is PVBJUXGOLXXEJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(13)9-12-5-3-11(4-6-12)7-8-14-2/h3-6,10H,7-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine?
(2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methylsulfanylethyl)phenyl]propan-2-amine is sourced from PubChem (CID 91037934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).