1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

C14H22ClNO3S — CID 106247000

IUPAC1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO3S/c1-14(18,10-20-2)9-16-7-12(17)8-19-13-5-3-4-11(15)6-13/h3-6,12,16-18H,7-10H2,1-2H3
InChIKeyRENOXPPOOPIKQZ-UHFFFAOYSA-N
MW319.85 g/mol
LogP1.78
Rot. Bonds9

About 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106247000) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106247000
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC Name1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO3S/c1-14(18,10-20-2)9-16-7-12(17)8-19-13-5-3-4-11(15)6-13/h3-6,12,16-18H,7-10H2,1-2H3
InChIKeyRENOXPPOOPIKQZ-UHFFFAOYSA-N
XLogP1.78
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-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-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247232
1-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247253
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247148
3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106277228
1-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247300
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247006
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106247000) is 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is RENOXPPOOPIKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3S/c1-14(18,10-20-2)9-16-7-12(17)8-19-13-5-3-4-11(15)6-13/h3-6,12,16-18H,7-10H2,1-2H3.
What are the key properties of 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 319.85 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106247000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).