4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride

C19H28ClNO2S — CID 11948753

IUPAC4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride
SMILESCC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.CCO.Cl
InChIInChI=1S/C17H21NOS.C2H6O.ClH/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16;1-2-3;/h4-11,13,19H,12H2,1-3H3;3H,2H2,1H3;1H
InChIKeyVUUBFUHNOZBTFH-UHFFFAOYSA-N
MW369.96 g/mol
LogP4.46
Rot. Bonds5

About 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride

4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride (PubChem CID 11948753) has the molecular formula C19H28ClNO2S and a molecular weight of 369.96 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride
PubChem CID11948753
Molecular FormulaC19H28ClNO2S
Molecular Weight369.96 g/mol
Exact Mass369.15
IUPAC Name4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride
SMILESCC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.CCO.Cl
InChIInChI=1S/C17H21NOS.C2H6O.ClH/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16;1-2-3;/h4-11,13,19H,12H2,1-3H3;3H,2H2,1H3;1H
InChIKeyVUUBFUHNOZBTFH-UHFFFAOYSA-N
XLogP4.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride?
The IUPAC name of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride (CID 11948753) is 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride.
What is the SMILES notation for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride?
The canonical SMILES for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride is CC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.CCO.Cl.
What is the InChIKey of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride?
The InChIKey is VUUBFUHNOZBTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS.C2H6O.ClH/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16;1-2-3;/h4-11,13,19H,12H2,1-3H3;3H,2H2,1H3;1H.
What are the key properties of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride?
4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride has a molecular weight of 369.96 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;ethanol;hydrochloride is sourced from PubChem (CID 11948753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).