2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol

C19H26N2O2S — CID 23378669

IUPAC2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol
SMILESCSc1ccc(Oc2ccc(N(C)CCO)cc2CN(C)C)cc1
InChIInChI=1S/C19H26N2O2S/c1-20(2)14-15-13-16(21(3)11-12-22)5-10-19(15)23-17-6-8-18(24-4)9-7-17/h5-10,13,22H,11-12,14H2,1-4H3
InChIKeyCOOXKEAYRZSPPS-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.69
Rot. Bonds8

About 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol

2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol (PubChem CID 23378669) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol
PubChem CID23378669
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol
SMILESCSc1ccc(Oc2ccc(N(C)CCO)cc2CN(C)C)cc1
InChIInChI=1S/C19H26N2O2S/c1-20(2)14-15-13-16(21(3)11-12-22)5-10-19(15)23-17-6-8-18(24-4)9-7-17/h5-10,13,22H,11-12,14H2,1-4H3
InChIKeyCOOXKEAYRZSPPS-UHFFFAOYSA-N
XLogP3.69
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]thiohydroxylamine
CID 143019197
N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]sulfanylacetamide
CID 142087977
N,N-dimethyl-1-[2-(4-methylsulfanylphenoxy)phenyl]methanamine;sulfuric acid
CID 11222497
N,N-dimethyl-1-[2-(4-methylsulfanylphenoxy)phenyl]methanamine;methanesulfonic acid
CID 11440104
1-[5-bromo-2-[4-(trifluoromethoxy)phenoxy]phenyl]-N,N-dimethylmethanamine;N,N-dimethyl-1-[5-methylsulfanyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine
CID 157410696
N-[[5-bromo-2-(4-methylsulfanylphenoxy)phenyl]methyl]-N-methylacetamide
CID 23378737
3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)aniline;N-[3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1,2,2,2-hexafluoroethane;bis(sulfur dioxide)
CID 159544925
[5-amino-2-(4-methylsulfanylphenoxy)phenyl]methyl-dimethylazanium
CID 142087968
3-[(dimethylamino)methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzoic acid
CID 59143844
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
1-[5-cyclopropyl-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 90934588

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol (CID 23378669) is 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol is CSc1ccc(Oc2ccc(N(C)CCO)cc2CN(C)C)cc1.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol?
The InChIKey is COOXKEAYRZSPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-20(2)14-15-13-16(21(3)11-12-22)5-10-19(15)23-17-6-8-18(24-4)9-7-17/h5-10,13,22H,11-12,14H2,1-4H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol?
2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol has a molecular weight of 346.50 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-N-methyl-4-(4-methylsulfanylphenoxy)anilino]ethanol is sourced from PubChem (CID 23378669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).