1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol

C19H25NO3S — CID 166178913

IUPAC1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
SMILESCC(C)c1ccc(CNCC(O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25NO3S/c1-14(2)16-6-4-15(5-7-16)12-20-13-19(21)17-8-10-18(11-9-17)24(3,22)23/h4-11,14,19-21H,12-13H2,1-3H3
InChIKeyCIDDLJUPKGIUHD-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.04
Rot. Bonds7

About 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol

1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol (PubChem CID 166178913) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
PubChem CID166178913
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
SMILESCC(C)c1ccc(CNCC(O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25NO3S/c1-14(2)16-6-4-15(5-7-16)12-20-13-19(21)17-8-10-18(11-9-17)24(3,22)23/h4-11,14,19-21H,12-13H2,1-3H3
InChIKeyCIDDLJUPKGIUHD-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 66090470
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
2-[[4-(benzenesulfonyl)phenyl]methylamino]-1-phenylethanol
CID 76673609
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 60511799

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol (CID 166178913) is 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol is CC(C)c1ccc(CNCC(O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol?
The InChIKey is CIDDLJUPKGIUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14(2)16-6-4-15(5-7-16)12-20-13-19(21)17-8-10-18(11-9-17)24(3,22)23/h4-11,14,19-21H,12-13H2,1-3H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol?
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol has a molecular weight of 347.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol is sourced from PubChem (CID 166178913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).