2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol

C15H25NO3S — CID 60969570

IUPAC2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC(C)CCCNCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)5-4-10-16-11-15(17)13-6-8-14(9-7-13)20(3,18)19/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyGNYLHMHHPJGMDR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.15
Rot. Bonds8

About 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol

2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 60969570) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID60969570
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC(C)CCCNCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)5-4-10-16-11-15(17)13-6-8-14(9-7-13)20(3,18)19/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyGNYLHMHHPJGMDR-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)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

2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 66090470
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
3-(2-aminoethylamino)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69313503
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
2-(hexan-2-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62200407
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
1-(4-methylsulfonylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106401084

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol (CID 60969570) is 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol is CC(C)CCCNCC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is GNYLHMHHPJGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-12(2)5-4-10-16-11-15(17)13-6-8-14(9-7-13)20(3,18)19/h6-9,12,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol?
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 299.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 60969570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).