4-[2-(2-aminopropyl)phenyl]sulfanylphenol

C15H17NOS — CID 3075843

IUPAC4-[2-(2-aminopropyl)phenyl]sulfanylphenol
SMILESCC(N)Cc1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C15H17NOS/c1-11(16)10-12-4-2-3-5-15(12)18-14-8-6-13(17)7-9-14/h2-9,11,17H,10,16H2,1H3
InChIKeyOIKIFYSCQKTWEY-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.43
Rot. Bonds4

About 4-[2-(2-aminopropyl)phenyl]sulfanylphenol

4-[2-(2-aminopropyl)phenyl]sulfanylphenol (PubChem CID 3075843) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[2-(2-aminopropyl)phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-(2-aminopropyl)phenyl]sulfanylphenol
PubChem CID3075843
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[2-(2-aminopropyl)phenyl]sulfanylphenol
SMILESCC(N)Cc1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C15H17NOS/c1-11(16)10-12-4-2-3-5-15(12)18-14-8-6-13(17)7-9-14/h2-9,11,17H,10,16H2,1H3
InChIKeyOIKIFYSCQKTWEY-UHFFFAOYSA-N
XLogP3.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropyl)phenyl]sulfanylphenol?
The IUPAC name of 4-[2-(2-aminopropyl)phenyl]sulfanylphenol (CID 3075843) is 4-[2-(2-aminopropyl)phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-(2-aminopropyl)phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-(2-aminopropyl)phenyl]sulfanylphenol is CC(N)Cc1ccccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-aminopropyl)phenyl]sulfanylphenol?
The InChIKey is OIKIFYSCQKTWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(16)10-12-4-2-3-5-15(12)18-14-8-6-13(17)7-9-14/h2-9,11,17H,10,16H2,1H3.
What are the key properties of 4-[2-(2-aminopropyl)phenyl]sulfanylphenol?
4-[2-(2-aminopropyl)phenyl]sulfanylphenol has a molecular weight of 259.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropyl)phenyl]sulfanylphenol is sourced from PubChem (CID 3075843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).