(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine

C12H20NO4P — CID 171192082

IUPAC(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1cccc(OC)c1
InChIInChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-7-6-8-11(9-10)15-3/h6-9,12H,4-5,13H2,1-3H3/t12-/m1/s1
InChIKeyXDVUJTQTLDFOLN-GFCCVEGCSA-N
MW273.27 g/mol
LogP2.92
Rot. Bonds7

About (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine

(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine (PubChem CID 171192082) has the molecular formula C12H20NO4P and a molecular weight of 273.27 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
PubChem CID171192082
Molecular FormulaC12H20NO4P
Molecular Weight273.27 g/mol
Exact Mass273.11
IUPAC Name(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1cccc(OC)c1
InChIInChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-7-6-8-11(9-10)15-3/h6-9,12H,4-5,13H2,1-3H3/t12-/m1/s1
InChIKeyXDVUJTQTLDFOLN-GFCCVEGCSA-N
XLogP2.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.92
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

(S)-diethoxyphosphoryl-[3-(trifluoromethoxy)phenyl]methanamine
CID 171191880
(S)-diethoxyphosphoryl-(3-phenylmethoxyphenyl)methanamine
CID 171191904
(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
CID 171191866
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
CID 171192137
benzyl N-[diethoxyphosphoryl-(3-methoxyphenyl)methyl]carbamate
CID 23420217
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
(S)-diethoxyphosphoryl-(2-methoxyphenyl)methanamine
CID 92836108
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate
CID 23420739
1-[di(propan-2-yloxy)phosphoryl-fluoromethyl]-3-methoxybenzene
CID 11088020

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine (CID 171192082) is (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine is CCOP(=O)(OCC)[C@@H](N)c1cccc(OC)c1.
What is the InChIKey of (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine?
The InChIKey is XDVUJTQTLDFOLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-7-6-8-11(9-10)15-3/h6-9,12H,4-5,13H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine?
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine has a molecular weight of 273.27 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 171192082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).