(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine

C13H19F3NO4P — CID 171192431

IUPAC(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C13H19F3NO4P/c1-4-20-22(18,21-5-2)12(17)10-7-6-9(13(14,15)16)8-11(10)19-3/h6-8,12H,4-5,17H2,1-3H3/t12-/m1/s1
InChIKeyGBGTVZHSDQDLRX-GFCCVEGCSA-N
MW341.27 g/mol
LogP3.94
Rot. Bonds7

About (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine

(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 171192431) has the molecular formula C13H19F3NO4P and a molecular weight of 341.27 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
PubChem CID171192431
Molecular FormulaC13H19F3NO4P
Molecular Weight341.27 g/mol
Exact Mass341.10
IUPAC Name(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C13H19F3NO4P/c1-4-20-22(18,21-5-2)12(17)10-7-6-9(13(14,15)16)8-11(10)19-3/h6-8,12H,4-5,17H2,1-3H3/t12-/m1/s1
InChIKeyGBGTVZHSDQDLRX-GFCCVEGCSA-N
XLogP3.94
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.94
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

(R)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171192268
(S)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171191850
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 171192428
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine (CID 171192431) is (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine is CCOP(=O)(OCC)[C@@H](N)c1ccc(C(F)(F)F)cc1OC.
What is the InChIKey of (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GBGTVZHSDQDLRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19F3NO4P/c1-4-20-22(18,21-5-2)12(17)10-7-6-9(13(14,15)16)8-11(10)19-3/h6-8,12H,4-5,17H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
(R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 341.27 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-[2-methoxy-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171192431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).