(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine

C14H24NO5P — CID 171192311

IUPAC(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
SMILESCCOc1cc([C@H](N)P(=O)(OCC)OCC)ccc1OC
InChIInChI=1S/C14H24NO5P/c1-5-18-13-10-11(8-9-12(13)17-4)14(15)21(16,19-6-2)20-7-3/h8-10,14H,5-7,15H2,1-4H3/t14-/m1/s1
InChIKeyNGIIVAZSWVGXJE-CQSZACIVSA-N
MW317.32 g/mol
LogP3.32
Rot. Bonds9

About (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine

(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine (PubChem CID 171192311) has the molecular formula C14H24NO5P and a molecular weight of 317.32 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
PubChem CID171192311
Molecular FormulaC14H24NO5P
Molecular Weight317.32 g/mol
Exact Mass317.14
IUPAC Name(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
SMILESCCOc1cc([C@H](N)P(=O)(OCC)OCC)ccc1OC
InChIInChI=1S/C14H24NO5P/c1-5-18-13-10-11(8-9-12(13)17-4)14(15)21(16,19-6-2)20-7-3/h8-10,14H,5-7,15H2,1-4H3/t14-/m1/s1
InChIKeyNGIIVAZSWVGXJE-CQSZACIVSA-N
XLogP3.32
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine
CID 171192302
(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 171192428
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1S)-1-deuterio-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
CID 90049002

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine?
The IUPAC name of (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine (CID 171192311) is (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine.
What is the SMILES notation for (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine?
The canonical SMILES for (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine is CCOc1cc([C@H](N)P(=O)(OCC)OCC)ccc1OC.
What is the InChIKey of (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine?
The InChIKey is NGIIVAZSWVGXJE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24NO5P/c1-5-18-13-10-11(8-9-12(13)17-4)14(15)21(16,19-6-2)20-7-3/h8-10,14H,5-7,15H2,1-4H3/t14-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine?
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine has a molecular weight of 317.32 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine is sourced from PubChem (CID 171192311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).