2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine

C11H17NS — CID 130655522

IUPAC2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine
SMILESCSCc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C11H17NS/c1-11(2,12)10-6-4-9(5-7-10)8-13-3/h4-7H,8,12H2,1-3H3
InChIKeyQDJGHZMVFRGRIR-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.74
Rot. Bonds3

About 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine

2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine (PubChem CID 130655522) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine
PubChem CID130655522
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine
SMILESCSCc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C11H17NS/c1-11(2,12)10-6-4-9(5-7-10)8-13-3/h4-7H,8,12H2,1-3H3
InChIKeyQDJGHZMVFRGRIR-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine (CID 130655522) is 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine is CSCc1ccc(C(C)(C)N)cc1.
What is the InChIKey of 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine?
The InChIKey is QDJGHZMVFRGRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-11(2,12)10-6-4-9(5-7-10)8-13-3/h4-7H,8,12H2,1-3H3.
What are the key properties of 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine?
2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylsulfanylmethyl)phenyl]propan-2-amine is sourced from PubChem (CID 130655522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).