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

C17H21NO3S — CID 110896898

IUPAC1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
SMILESCC(NCC(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-13(14-6-4-3-5-7-14)18-12-17(19)15-8-10-16(11-9-15)22(2,20)21/h3-11,13,17-19H,12H2,1-2H3
InChIKeyVVHVPLPYHZXROV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.47
Rot. Bonds6

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

1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol (PubChem CID 110896898) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
PubChem CID110896898
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
SMILESCC(NCC(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-13(14-6-4-3-5-7-14)18-12-17(19)15-8-10-16(11-9-15)22(2,20)21/h3-11,13,17-19H,12H2,1-2H3
InChIKeyVVHVPLPYHZXROV-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
CID 42937239
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
[4-[(1R)-1-hydroxy-2-(1-phenylethylamino)ethyl]phenyl] benzenesulfonate
CID 87367120
(1R)-2-[[(2S)-4-(4-methylsulfonylphenyl)butan-2-yl]amino]-1-phenylethanol;hydrochloride
CID 70469832
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
CID 175563500
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol (CID 110896898) is 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol is CC(NCC(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol?
The InChIKey is VVHVPLPYHZXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13(14-6-4-3-5-7-14)18-12-17(19)15-8-10-16(11-9-15)22(2,20)21/h3-11,13,17-19H,12H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol?
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol has a molecular weight of 319.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol is sourced from PubChem (CID 110896898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).