2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol

C18H23NO3S — CID 75517353

IUPAC2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-14(15-7-5-4-6-8-15)19-13-18(2,20)16-9-11-17(12-10-16)23(3,21)22/h4-12,14,19-20H,13H2,1-3H3/t14-,18?/m1/s1
InChIKeyKQRJQSUGYAAZLX-IKJXHCRLSA-N
MW333.45 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol

2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 75517353) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID75517353
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-14(15-7-5-4-6-8-15)19-13-18(2,20)16-9-11-17(12-10-16)23(3,21)22/h4-12,14,19-20H,13H2,1-3H3/t14-,18?/m1/s1
InChIKeyKQRJQSUGYAAZLX-IKJXHCRLSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
2-methyl-2-nitro-N-[(1R)-1-phenylethyl]propan-1-amine
CID 146294091
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
CID 62773186
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 75517353) is 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol is C[C@@H](NCC(C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is KQRJQSUGYAAZLX-IKJXHCRLSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14(15-7-5-4-6-8-15)19-13-18(2,20)16-9-11-17(12-10-16)23(3,21)22/h4-12,14,19-20H,13H2,1-3H3/t14-,18?/m1/s1.
What are the key properties of 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol?
2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 333.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 75517353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).