(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine

C20H28NO4P — CID 10948834

IUPAC(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@@H](N[C@@H](COC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28NO4P/c1-4-24-26(22,25-5-2)20(18-14-10-7-11-15-18)21-19(16-23-3)17-12-8-6-9-13-17/h6-15,19-21H,4-5,16H2,1-3H3/t19-,20+/m0/s1
InChIKeyHHRPKWJJOARFNN-VQTJNVASSA-N
MW377.42 g/mol
LogP4.93
Rot. Bonds11

About (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine

(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine (PubChem CID 10948834) has the molecular formula C20H28NO4P and a molecular weight of 377.42 g/mol. Its IUPAC name is (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine
PubChem CID10948834
Molecular FormulaC20H28NO4P
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@@H](N[C@@H](COC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28NO4P/c1-4-24-26(22,25-5-2)20(18-14-10-7-11-15-18)21-19(16-23-3)17-12-8-6-9-13-17/h6-15,19-21H,4-5,16H2,1-3H3/t19-,20+/m0/s1
InChIKeyHHRPKWJJOARFNN-VQTJNVASSA-N
XLogP4.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2R)-2-acetamido-2-phenylethyl] phosphate
CID 18339794
[2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-1-phosphonoethyl]phosphonic acid
CID 11566043
Phosphonic acid, [(1R)-1-[(diphenylmethyl)amino]ethyl]-, dimethyl ester
CID 10495859
(1R)-N-benzhydryl-1-dimethoxyphosphorylhexan-1-amine
CID 10547476
(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine
CID 10640385
(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine
CID 10760061
Phosphonic acid, [phenyl[(phenylmethyl)amino]methyl]-, diethyl ester
CID 11045862
(alphaR)-alpha-(Methoxymethyl)-N-(1-methylethyl)benzenemethanamine
CID 11084731
N-[(1S)-2-methoxy-1-phenylethyl]propan-2-amine
CID 13571323
(2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 13662316
N-benzhydryl-1-dimethoxyphosphorylethanamine
CID 17915680
N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine
CID 17915682

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine (CID 10948834) is (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine is CCOP(=O)(OCC)[C@@H](N[C@@H](COC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine?
The InChIKey is HHRPKWJJOARFNN-VQTJNVASSA-N. The full InChI is InChI=1S/C20H28NO4P/c1-4-24-26(22,25-5-2)20(18-14-10-7-11-15-18)21-19(16-23-3)17-12-8-6-9-13-17/h6-15,19-21H,4-5,16H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine?
(1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine has a molecular weight of 377.42 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 10948834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).