(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol

C27H26NO2P — CID 139038736

IUPAC(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
SMILESCN([C@H](c1ccccc1)[C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NO2P/c1-28(31(30,24-18-10-4-11-19-24)25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(29)23-16-8-3-9-17-23/h2-21,26-27,29H,1H3/t26-,27+/m1/s1
InChIKeyFJVKAIIHXOMLEO-SXOMAYOGSA-N
MW427.48 g/mol
LogP5.32
Rot. Bonds7

About (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol

(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol (PubChem CID 139038736) has the molecular formula C27H26NO2P and a molecular weight of 427.48 g/mol. Its IUPAC name is (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
PubChem CID139038736
Molecular FormulaC27H26NO2P
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
SMILESCN([C@H](c1ccccc1)[C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NO2P/c1-28(31(30,24-18-10-4-11-19-24)25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(29)23-16-8-3-9-17-23/h2-21,26-27,29H,1H3/t26-,27+/m1/s1
InChIKeyFJVKAIIHXOMLEO-SXOMAYOGSA-N
XLogP5.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
2-(4-Benzhydrylpiperazin-1-yl)-1-phenylethanol
CID 2809776
2-(Dimethylamino)-1,2-diphenylethanol
CID 223870
(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol
CID 71454813
(1R,2S)-N-Benzyl-2-amino-1,2-diphenylethanol
CID 2756608
Erythro-2-piperidinyl-1,2-diphenyl ethanol
CID 237085
2-(Cyclohexylamino)-1,2-diphenylethanol
CID 411968
1,2-Diphenyl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 12505416
2-(4-Benzylpiperazin-1-yl)-1,2-diphenylethanol;hydrochloride
CID 90669896
(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol
CID 90680251
(1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol
CID 7145186

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
The IUPAC name of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol (CID 139038736) is (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol.
What is the SMILES notation for (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
The canonical SMILES for (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol is CN([C@H](c1ccccc1)[C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
The InChIKey is FJVKAIIHXOMLEO-SXOMAYOGSA-N. The full InChI is InChI=1S/C27H26NO2P/c1-28(31(30,24-18-10-4-11-19-24)25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(29)23-16-8-3-9-17-23/h2-21,26-27,29H,1H3/t26-,27+/m1/s1.
What are the key properties of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol has a molecular weight of 427.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol is sourced from PubChem (CID 139038736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).