(1S)-1-phenyl-2-(tritylamino)ethanol

C27H25NO — CID 69267924

IUPAC(1S)-1-phenyl-2-(tritylamino)ethanol
SMILESO[C@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO/c29-26(22-13-5-1-6-14-22)21-28-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26,28-29H,21H2/t26-/m1/s1
InChIKeyYTKRSLBOSILUMS-AREMUKBSSA-N
MW379.50 g/mol
LogP5.30
Rot. Bonds7

About (1S)-1-phenyl-2-(tritylamino)ethanol

(1S)-1-phenyl-2-(tritylamino)ethanol (PubChem CID 69267924) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(tritylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(tritylamino)ethanol
PubChem CID69267924
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name(1S)-1-phenyl-2-(tritylamino)ethanol
SMILESO[C@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO/c29-26(22-13-5-1-6-14-22)21-28-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26,28-29H,21H2/t26-/m1/s1
InChIKeyYTKRSLBOSILUMS-AREMUKBSSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
ethane;3-methyl-1-(tritylamino)butan-2-ol
CID 142862974
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
CID 103602722
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(tritylamino)ethanol?
The IUPAC name of (1S)-1-phenyl-2-(tritylamino)ethanol (CID 69267924) is (1S)-1-phenyl-2-(tritylamino)ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-(tritylamino)ethanol?
The canonical SMILES for (1S)-1-phenyl-2-(tritylamino)ethanol is O[C@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-(tritylamino)ethanol?
The InChIKey is YTKRSLBOSILUMS-AREMUKBSSA-N. The full InChI is InChI=1S/C27H25NO/c29-26(22-13-5-1-6-14-22)21-28-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26,28-29H,21H2/t26-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-(tritylamino)ethanol?
(1S)-1-phenyl-2-(tritylamino)ethanol has a molecular weight of 379.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(tritylamino)ethanol is sourced from PubChem (CID 69267924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).