(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine

C12H19FNO3P — CID 171192177

IUPAC(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(C)c(F)c1
InChIInChI=1S/C12H19FNO3P/c1-4-16-18(15,17-5-2)12(14)10-7-6-9(3)11(13)8-10/h6-8,12H,4-5,14H2,1-3H3/t12-/m1/s1
InChIKeyMHYRUILXQSGAGM-GFCCVEGCSA-N
MW275.26 g/mol
LogP3.36
Rot. Bonds6

About (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine

(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 171192177) has the molecular formula C12H19FNO3P and a molecular weight of 275.26 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
PubChem CID171192177
Molecular FormulaC12H19FNO3P
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(C)c(F)c1
InChIInChI=1S/C12H19FNO3P/c1-4-16-18(15,17-5-2)12(14)10-7-6-9(3)11(13)8-10/h6-8,12H,4-5,14H2,1-3H3/t12-/m1/s1
InChIKeyMHYRUILXQSGAGM-GFCCVEGCSA-N
XLogP3.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
(R)-diethoxyphosphoryl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171192259
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
(S)-(6-chloro-2-fluoro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171191856
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
CID 171191866

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine (CID 171192177) is (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine is CCOP(=O)(OCC)[C@@H](N)c1ccc(C)c(F)c1.
What is the InChIKey of (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is MHYRUILXQSGAGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19FNO3P/c1-4-16-18(15,17-5-2)12(14)10-7-6-9(3)11(13)8-10/h6-8,12H,4-5,14H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine?
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 275.26 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 171192177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).