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

C16H20ClNOS — CID 3075844

IUPAC4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride
SMILESCNC(C)Cc1ccccc1Sc1ccc(O)cc1.Cl
InChIInChI=1S/C16H19NOS.ClH/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;1H
InChIKeyGLKXACZHDXZUGR-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.12
Rot. Bonds5

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

4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride (PubChem CID 3075844) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride
PubChem CID3075844
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride
SMILESCNC(C)Cc1ccccc1Sc1ccc(O)cc1.Cl
InChIInChI=1S/C16H19NOS.ClH/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;1H
InChIKeyGLKXACZHDXZUGR-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-hydroxyphenyl)sulfanylphenyl]acetate
CID 18365028
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
4-[2-(aminomethyl)phenyl]sulfanylphenol;(Z)-but-2-enedioic acid
CID 127021148
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide
CID 54911187
4-(2-fluorophenyl)sulfanylphenol
CID 91875605
bis(4-[2-(aminomethyl)phenyl]sulfanylphenol);bis((Z)-but-2-enedioic acid);trihydrate
CID 163332579
2-methoxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133239287

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
The IUPAC name of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride (CID 3075844) is 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride.
What is the SMILES notation for 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
The canonical SMILES for 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride is CNC(C)Cc1ccccc1Sc1ccc(O)cc1.Cl.
What is the InChIKey of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
The InChIKey is GLKXACZHDXZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS.ClH/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;1H.
What are the key properties of 4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride?
4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride has a molecular weight of 309.86 g/mol, XLogP of 4.12, 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;hydrochloride is sourced from PubChem (CID 3075844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).