2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol

C12H19FNO4P — CID 171192202

IUPAC2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(F)cc(C)c1O
InChIInChI=1S/C12H19FNO4P/c1-4-17-19(16,18-5-2)12(14)10-7-9(13)6-8(3)11(10)15/h6-7,12,15H,4-5,14H2,1-3H3/t12-/m1/s1
InChIKeyFUTDALSPABPNKU-GFCCVEGCSA-N
MW291.26 g/mol
LogP3.06
Rot. Bonds6

About 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol

2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol (PubChem CID 171192202) has the molecular formula C12H19FNO4P and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol
PubChem CID171192202
Molecular FormulaC12H19FNO4P
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Name2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1cc(F)cc(C)c1O
InChIInChI=1S/C12H19FNO4P/c1-4-17-19(16,18-5-2)12(14)10-7-9(13)6-8(3)11(10)15/h6-7,12,15H,4-5,14H2,1-3H3/t12-/m1/s1
InChIKeyFUTDALSPABPNKU-GFCCVEGCSA-N
XLogP3.06
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(S)-diethoxyphosphoryl-(2,3,5-trifluorophenyl)methanamine
CID 171191781
ethyl (3S)-3-amino-3-(5-fluoro-2-hydroxy-3-methylphenyl)propanoate
CID 171225009
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
(S)-(2-chloro-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191766
ethyl (3R)-3-amino-3-(5-fluoro-2-hydroxy-3-methylphenyl)propanoate;hydrochloride
CID 171205437
(S)-(2-bromo-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191718
4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
CID 171191642
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
2-[(1R)-1-aminobutyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205406
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol?
The IUPAC name of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol (CID 171192202) is 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol?
The canonical SMILES for 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol is CCOP(=O)(OCC)[C@@H](N)c1cc(F)cc(C)c1O.
What is the InChIKey of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol?
The InChIKey is FUTDALSPABPNKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19FNO4P/c1-4-17-19(16,18-5-2)12(14)10-7-9(13)6-8(3)11(10)15/h6-7,12,15H,4-5,14H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol?
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol has a molecular weight of 291.26 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol is sourced from PubChem (CID 171192202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).