2-(4-methylsulfanylphenoxy)pentan-1-amine

C12H19NOS — CID 83044748

IUPAC2-(4-methylsulfanylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1ccc(SC)cc1
InChIInChI=1S/C12H19NOS/c1-3-4-11(9-13)14-10-5-7-12(15-2)8-6-10/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyUPWXASFYAZWKPX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-methylsulfanylphenoxy)pentan-1-amine

2-(4-methylsulfanylphenoxy)pentan-1-amine (PubChem CID 83044748) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)pentan-1-amine
PubChem CID83044748
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(4-methylsulfanylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1ccc(SC)cc1
InChIInChI=1S/C12H19NOS/c1-3-4-11(9-13)14-10-5-7-12(15-2)8-6-10/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyUPWXASFYAZWKPX-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)pentan-1-amine?
The IUPAC name of 2-(4-methylsulfanylphenoxy)pentan-1-amine (CID 83044748) is 2-(4-methylsulfanylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)pentan-1-amine is CCCC(CN)Oc1ccc(SC)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)pentan-1-amine?
The InChIKey is UPWXASFYAZWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-4-11(9-13)14-10-5-7-12(15-2)8-6-10/h5-8,11H,3-4,9,13H2,1-2H3.
What are the key properties of 2-(4-methylsulfanylphenoxy)pentan-1-amine?
2-(4-methylsulfanylphenoxy)pentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)pentan-1-amine is sourced from PubChem (CID 83044748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).