(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol

C10H16NO4P — CID 101339254

IUPAC(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
SMILESCOP(=O)(C[C@H](O)c1ccccc1N)OC
InChIInChI=1S/C10H16NO4P/c1-14-16(13,15-2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10,12H,7,11H2,1-2H3/t10-/m0/s1
InChIKeyPIOAIGYRFVEPIY-JTQLQIEISA-N
MW245.22 g/mol
LogP1.79
Rot. Bonds5

About (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol

(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol (PubChem CID 101339254) has the molecular formula C10H16NO4P and a molecular weight of 245.22 g/mol. Its IUPAC name is (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol.

Molecular Properties

Compound Name(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
PubChem CID101339254
Molecular FormulaC10H16NO4P
Molecular Weight245.22 g/mol
Exact Mass245.08
IUPAC Name(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
SMILESCOP(=O)(C[C@H](O)c1ccccc1N)OC
InChIInChI=1S/C10H16NO4P/c1-14-16(13,15-2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10,12H,7,11H2,1-2H3/t10-/m0/s1
InChIKeyPIOAIGYRFVEPIY-JTQLQIEISA-N
XLogP1.79
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-dimethoxyphosphoryl-1-hydroxyethyl]phenol
CID 102595355
2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
CID 117060650
1-(5-amino-2,4-diiodophenyl)-2-dimethoxyphosphorylethanol
CID 10648954
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
methyl 3-[2-(2-aminophenyl)-2-hydroxyethyl]sulfanylpropanoate
CID 55055690
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978
1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 66274762
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
CID 64831796
1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
(1S)-1-(2-aminophenyl)ethanol
CID 12749796

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol?
The IUPAC name of (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol (CID 101339254) is (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol.
What is the SMILES notation for (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol?
The canonical SMILES for (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol is COP(=O)(C[C@H](O)c1ccccc1N)OC.
What is the InChIKey of (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol?
The InChIKey is PIOAIGYRFVEPIY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16NO4P/c1-14-16(13,15-2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10,12H,7,11H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol?
(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol has a molecular weight of 245.22 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol is sourced from PubChem (CID 101339254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).