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

C22H24NO2P — CID 124555381

IUPAC(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO2P/c1-18(22(24)19-12-6-3-7-13-19)23(2)26(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,24H,1-2H3/t18-,22-/m1/s1
InChIKeyICBOYFKPRKHWSC-XMSQKQJNSA-N
MW365.41 g/mol
LogP3.97
Rot. Bonds6

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

(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 124555381) has the molecular formula C22H24NO2P and a molecular weight of 365.41 g/mol. Its IUPAC name is (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol
PubChem CID124555381
Molecular FormulaC22H24NO2P
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO2P/c1-18(22(24)19-12-6-3-7-13-19)23(2)26(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,24H,1-2H3/t18-,22-/m1/s1
InChIKeyICBOYFKPRKHWSC-XMSQKQJNSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.97
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

2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
CID 66624386
(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine
CID 135005736
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(Z,4S,5S)-5-hydroxy-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4,5-diphenylpent-2-enenitrile
CID 10251124
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
CID 46900882

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol (CID 124555381) is (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol is C[C@H]([C@@H](O)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is ICBOYFKPRKHWSC-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H24NO2P/c1-18(22(24)19-12-6-3-7-13-19)23(2)26(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,24H,1-2H3/t18-,22-/m1/s1.
What are the key properties of (1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol?
(1S,2R)-2-[diphenylphosphoryl(methyl)amino]-1-phenylpropan-1-ol has a molecular weight of 365.41 g/mol, XLogP of 3.97, 6 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-phenylpropan-1-ol is sourced from PubChem (CID 124555381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).