2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine

C13H21NOS — CID 19816569

IUPAC2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine
SMILESCCC(C)Sc1ccc(OC(C)CN)cc1
InChIInChI=1S/C13H21NOS/c1-4-11(3)16-13-7-5-12(6-8-13)15-10(2)9-14/h5-8,10-11H,4,9,14H2,1-3H3
InChIKeyFWHHUALGOIWIIT-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine

2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine (PubChem CID 19816569) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine
PubChem CID19816569
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine
SMILESCCC(C)Sc1ccc(OC(C)CN)cc1
InChIInChI=1S/C13H21NOS/c1-4-11(3)16-13-7-5-12(6-8-13)15-10(2)9-14/h5-8,10-11H,4,9,14H2,1-3H3
InChIKeyFWHHUALGOIWIIT-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine?
The IUPAC name of 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine (CID 19816569) is 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine is CCC(C)Sc1ccc(OC(C)CN)cc1.
What is the InChIKey of 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine?
The InChIKey is FWHHUALGOIWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-11(3)16-13-7-5-12(6-8-13)15-10(2)9-14/h5-8,10-11H,4,9,14H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine?
2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylsulfanylphenoxy)propan-1-amine is sourced from PubChem (CID 19816569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).