3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide

C15H18BrNOS — CID 3080309

IUPAC3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide
SMILESBr.CN(C)Cc1ccccc1Sc1cccc(O)c1
InChIInChI=1S/C15H17NOS.BrH/c1-16(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(17)10-14;/h3-10,17H,11H2,1-2H3;1H
InChIKeySGWZACMMPBTOGC-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.18
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide

3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide (PubChem CID 3080309) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide
PubChem CID3080309
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide
SMILESBr.CN(C)Cc1ccccc1Sc1cccc(O)c1
InChIInChI=1S/C15H17NOS.BrH/c1-16(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(17)10-14;/h3-10,17H,11H2,1-2H3;1H
InChIKeySGWZACMMPBTOGC-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide (CID 3080309) is 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide is Br.CN(C)Cc1ccccc1Sc1cccc(O)c1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide?
The InChIKey is SGWZACMMPBTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.BrH/c1-16(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(17)10-14;/h3-10,17H,11H2,1-2H3;1H.
What are the key properties of 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide?
3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide has a molecular weight of 340.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol;hydrobromide is sourced from PubChem (CID 3080309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).