2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride

C15H18ClNOS — CID 3075840

IUPAC2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride
SMILESCC(N)Cc1ccccc1Sc1ccccc1O.Cl
InChIInChI=1S/C15H17NOS.ClH/c1-11(16)10-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11,17H,10,16H2,1H3;1H
InChIKeyBJNNTPYASCKDDJ-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.85
Rot. Bonds4

About 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride

2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride (PubChem CID 3075840) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride
PubChem CID3075840
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride
SMILESCC(N)Cc1ccccc1Sc1ccccc1O.Cl
InChIInChI=1S/C15H17NOS.ClH/c1-11(16)10-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11,17H,10,16H2,1H3;1H
InChIKeyBJNNTPYASCKDDJ-UHFFFAOYSA-N
XLogP3.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride?
The IUPAC name of 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride (CID 3075840) is 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride.
What is the SMILES notation for 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride?
The canonical SMILES for 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride is CC(N)Cc1ccccc1Sc1ccccc1O.Cl.
What is the InChIKey of 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride?
The InChIKey is BJNNTPYASCKDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.ClH/c1-11(16)10-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11,17H,10,16H2,1H3;1H.
What are the key properties of 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride?
2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)phenyl]sulfanylphenol;hydrochloride is sourced from PubChem (CID 3075840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).