(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol

C37H44N2O2 — CID 158097033

IUPAC(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol
SMILESC.C.N[C@H](CO)c1ccccc1.OC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO.C8H11NO.2CH4/c29-21-26(22-13-5-1-6-14-22)28-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;9-8(6-10)7-4-2-1-3-5-7;;/h1-20,26,28-29H,21H2;1-5,8,10H,6,9H2;2*1H4/t26-;8-;;/m11../s1
InChIKeyFOUIAGSKKDSEOL-FLFFXDDTSA-N
MW548.77 g/mol
LogP7.25
Rot. Bonds9

About (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol

(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol (PubChem CID 158097033) has the molecular formula C37H44N2O2 and a molecular weight of 548.77 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol
PubChem CID158097033
Molecular FormulaC37H44N2O2
Molecular Weight548.77 g/mol
Exact Mass548.34
IUPAC Name(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol
SMILESC.C.N[C@H](CO)c1ccccc1.OC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO.C8H11NO.2CH4/c29-21-26(22-13-5-1-6-14-22)28-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;9-8(6-10)7-4-2-1-3-5-7;;/h1-20,26,28-29H,21H2;1-5,8,10H,6,9H2;2*1H4/t26-;8-;;/m11../s1
InChIKeyFOUIAGSKKDSEOL-FLFFXDDTSA-N
XLogP7.25
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 57.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol 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

zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
2-fluoro-2-(tritylamino)ethanol
CID 166795725
2-(hydroxyamino)-2-phenylethanol
CID 12782000
(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoro-2-isocyanopropan-2-yl]amino]ethanol
CID 123883586
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride
CID 160921286
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile
CID 10911637
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol?
The IUPAC name of (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol (CID 158097033) is (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol.
What is the SMILES notation for (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol?
The canonical SMILES for (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol is C.C.N[C@H](CO)c1ccccc1.OC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol?
The InChIKey is FOUIAGSKKDSEOL-FLFFXDDTSA-N. The full InChI is InChI=1S/C27H25NO.C8H11NO.2CH4/c29-21-26(22-13-5-1-6-14-22)28-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;9-8(6-10)7-4-2-1-3-5-7;;/h1-20,26,28-29H,21H2;1-5,8,10H,6,9H2;2*1H4/t26-;8-;;/m11../s1.
What are the key properties of (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol?
(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol has a molecular weight of 548.77 g/mol, XLogP of 7.25, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol is sourced from PubChem (CID 158097033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).