2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine

C14H23NO3S — CID 82181159

IUPAC2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
SMILESCC(C)c1ccc(CS(=O)(=O)CCOCCN)cc1
InChIInChI=1S/C14H23NO3S/c1-12(2)14-5-3-13(4-6-14)11-19(16,17)10-9-18-8-7-15/h3-6,12H,7-11,15H2,1-2H3
InChIKeyDXLJRBIWRABYMI-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.70
Rot. Bonds8

About 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine

2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine (PubChem CID 82181159) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
PubChem CID82181159
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
SMILESCC(C)c1ccc(CS(=O)(=O)CCOCCN)cc1
InChIInChI=1S/C14H23NO3S/c1-12(2)14-5-3-13(4-6-14)11-19(16,17)10-9-18-8-7-15/h3-6,12H,7-11,15H2,1-2H3
InChIKeyDXLJRBIWRABYMI-UHFFFAOYSA-N
XLogP1.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine 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-[2-[(4-propan-2-ylphenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181090
1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591045
molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
CID 142616935
(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
2-[(4-ethylphenyl)methylsulfonyl]ethanamine
CID 79017600
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 145265595
[dimethyl-[(4-propan-2-ylphenyl)methyl]-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139974852
[bis(2-hydroxyethyl)-[(4-propan-2-ylphenyl)methyl]-λ4-sulfanyl] trifluoromethanesulfonate
CID 139752569
4-[2-(4-methylphenoxy)ethylsulfonylmethyl]aniline
CID 82178347
2-[(4-iodophenyl)methylsulfonyl]ethanamine
CID 81173403
ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
CID 145380405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine (CID 82181159) is 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine is CC(C)c1ccc(CS(=O)(=O)CCOCCN)cc1.
What is the InChIKey of 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine?
The InChIKey is DXLJRBIWRABYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-12(2)14-5-3-13(4-6-14)11-19(16,17)10-9-18-8-7-15/h3-6,12H,7-11,15H2,1-2H3.
What are the key properties of 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine?
2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine is sourced from PubChem (CID 82181159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).