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

C17H22ClNOS — CID 3075848

IUPAC4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride
SMILESCC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.Cl
InChIInChI=1S/C17H21NOS.ClH/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16;/h4-11,13,19H,12H2,1-3H3;1H
InChIKeyMFMNFAVXMAMZPA-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.46
Rot. Bonds5

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

4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride (PubChem CID 3075848) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride
PubChem CID3075848
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride
SMILESCC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.Cl
InChIInChI=1S/C17H21NOS.ClH/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16;/h4-11,13,19H,12H2,1-3H3;1H
InChIKeyMFMNFAVXMAMZPA-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
The IUPAC name of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride (CID 3075848) is 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride.
What is the SMILES notation for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
The canonical SMILES for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride is CC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C.Cl.
What is the InChIKey of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
The InChIKey is MFMNFAVXMAMZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS.ClH/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16;/h4-11,13,19H,12H2,1-3H3;1H.
What are the key properties of 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol;hydrochloride is sourced from PubChem (CID 3075848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).