(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine

C12H19FNO4P — CID 171191866

IUPAC(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1cc(OC)ccc1F
InChIInChI=1S/C12H19FNO4P/c1-4-17-19(15,18-5-2)12(14)10-8-9(16-3)6-7-11(10)13/h6-8,12H,4-5,14H2,1-3H3/t12-/m0/s1
InChIKeyUGFHQGGAISQQCY-LBPRGKRZSA-N
MW291.26 g/mol
LogP3.06
Rot. Bonds7

About (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine

(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine (PubChem CID 171191866) has the molecular formula C12H19FNO4P and a molecular weight of 291.26 g/mol. Its IUPAC name is (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
PubChem CID171191866
Molecular FormulaC12H19FNO4P
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Name(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1cc(OC)ccc1F
InChIInChI=1S/C12H19FNO4P/c1-4-17-19(15,18-5-2)12(14)10-8-9(16-3)6-7-11(10)13/h6-8,12H,4-5,14H2,1-3H3/t12-/m0/s1
InChIKeyUGFHQGGAISQQCY-LBPRGKRZSA-N
XLogP3.06
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
CID 171192137
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
CID 171191642
(S)-diethoxyphosphoryl-(2,3-difluorophenyl)methanamine
CID 171191753
(S)-diethoxyphosphoryl-(2,3,5-trifluorophenyl)methanamine
CID 171191781
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
(S)-(2-chloro-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191766
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177

Frequently Asked Questions

What is the IUPAC name of (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine?
The IUPAC name of (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine (CID 171191866) is (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine.
What is the SMILES notation for (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine?
The canonical SMILES for (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine is CCOP(=O)(OCC)[C@H](N)c1cc(OC)ccc1F.
What is the InChIKey of (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine?
The InChIKey is UGFHQGGAISQQCY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19FNO4P/c1-4-17-19(15,18-5-2)12(14)10-8-9(16-3)6-7-11(10)13/h6-8,12H,4-5,14H2,1-3H3/t12-/m0/s1.
What are the key properties of (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine?
(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine has a molecular weight of 291.26 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine is sourced from PubChem (CID 171191866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).