2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol

C23H25NOS — CID 20573564

IUPAC2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol
SMILESCNCC(C)(O)C(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C23H25NOS/c1-23(25,17-24-2)22(18-9-5-3-6-10-18)19-13-15-21(16-14-19)26-20-11-7-4-8-12-20/h3-16,22,24-25H,17H2,1-2H3
InChIKeyKATOLIUCAPOMFK-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.94
Rot. Bonds7

About 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol

2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol (PubChem CID 20573564) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol
PubChem CID20573564
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol
SMILESCNCC(C)(O)C(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C23H25NOS/c1-23(25,17-24-2)22(18-9-5-3-6-10-18)19-13-15-21(16-14-19)26-20-11-7-4-8-12-20/h3-16,22,24-25H,17H2,1-2H3
InChIKeyKATOLIUCAPOMFK-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol 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

1-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-methyl-3-(methylamino)-1-phenylpropan-2-ol
CID 54141885
2-methyl-1,1-diphenyl-3-(propylamino)propan-2-ol
CID 62773138
1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
CID 20573712
N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573835
N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine
CID 169474688
2-(4-phenylsulfanylphenyl)propanoic acid
CID 67801946
N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine
CID 155070359
2,3-dimethyl-1,1-diphenylbutane-2,3-diol
CID 141069653
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
CID 20573264
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol?
The IUPAC name of 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol (CID 20573564) is 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol is CNCC(C)(O)C(c1ccccc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol?
The InChIKey is KATOLIUCAPOMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c1-23(25,17-24-2)22(18-9-5-3-6-10-18)19-13-15-21(16-14-19)26-20-11-7-4-8-12-20/h3-16,22,24-25H,17H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol?
2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol has a molecular weight of 363.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-phenyl-1-(4-phenylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 20573564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).