4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol

C16H19NOS — CID 3075845

IUPAC4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol
SMILESCNC(C)Cc1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C16H19NOS/c1-12(17-2)11-13-5-3-4-6-16(13)19-15-9-7-14(18)8-10-15/h3-10,12,17-18H,11H2,1-2H3
InChIKeyYNTKLVYGQBWKPR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.69
Rot. Bonds5

About 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol

4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol (PubChem CID 3075845) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol
PubChem CID3075845
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol
SMILESCNC(C)Cc1ccccc1Sc1ccc(O)cc1
InChIInChI=1S/C16H19NOS/c1-12(17-2)11-13-5-3-4-6-16(13)19-15-9-7-14(18)8-10-15/h3-10,12,17-18H,11H2,1-2H3
InChIKeyYNTKLVYGQBWKPR-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol?
The IUPAC name of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol (CID 3075845) is 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol is CNC(C)Cc1ccccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol?
The InChIKey is YNTKLVYGQBWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12(17-2)11-13-5-3-4-6-16(13)19-15-9-7-14(18)8-10-15/h3-10,12,17-18H,11H2,1-2H3.
What are the key properties of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol?
4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol has a molecular weight of 273.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol is sourced from PubChem (CID 3075845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).