(2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol

C17H28NO4P — CID 11067811

IUPAC(2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol
SMILESCOP(=O)(OC)[C@@H](N[C@@H](CO)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H28NO4P/c1-21-23(20,22-2)17(15-11-7-4-8-12-15)18-16(13-19)14-9-5-3-6-10-14/h3,5-6,9-10,15-19H,4,7-8,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyYJXCLBWSDPKNDA-DLBZAZTESA-N
MW341.39 g/mol
LogP3.70
Rot. Bonds8

About (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol

(2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol (PubChem CID 11067811) has the molecular formula C17H28NO4P and a molecular weight of 341.39 g/mol. Its IUPAC name is (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol
PubChem CID11067811
Molecular FormulaC17H28NO4P
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC Name(2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol
SMILESCOP(=O)(OC)[C@@H](N[C@@H](CO)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H28NO4P/c1-21-23(20,22-2)17(15-11-7-4-8-12-15)18-16(13-19)14-9-5-3-6-10-14/h3,5-6,9-10,15-19H,4,7-8,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyYJXCLBWSDPKNDA-DLBZAZTESA-N
XLogP3.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907
beta-(Methylamino)benzeneethanol
CID 12247455
(S)-2-(Methylamino)-2-phenylethanol
CID 10057687
2-(Ethylamino)-2-phenylethan-1-ol
CID 13278150
[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid
CID 11566043
(2-Amino-1-hydroxy-2-phenylethyl)phosphonic acid
CID 53319077
2-(Benzylamino)-2-dimethoxyphosphorylpropan-1-ol
CID 155552484
2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
CID 155553818
(S)-2-benzylamino-3-phenyl-1-propanol
CID 10514267

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol (CID 11067811) is (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol is COP(=O)(OC)[C@@H](N[C@@H](CO)c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol?
The InChIKey is YJXCLBWSDPKNDA-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28NO4P/c1-21-23(20,22-2)17(15-11-7-4-8-12-15)18-16(13-19)14-9-5-3-6-10-14/h3,5-6,9-10,15-19H,4,7-8,11-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol?
(2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol has a molecular weight of 341.39 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]amino]-2-phenylethanol is sourced from PubChem (CID 11067811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).