4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol

C12H20NO5P — CID 102231282

IUPAC4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
SMILESCCOP(=O)(OCC)C(N)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)9-6-7-10(14)11(8-9)16-3/h6-8,12,14H,4-5,13H2,1-3H3
InChIKeyJTDRAOCJEWCFDU-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.62
Rot. Bonds7

About 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol

4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol (PubChem CID 102231282) has the molecular formula C12H20NO5P and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
PubChem CID102231282
Molecular FormulaC12H20NO5P
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
SMILESCCOP(=O)(OCC)C(N)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)9-6-7-10(14)11(8-9)16-3/h6-8,12,14H,4-5,13H2,1-3H3
InChIKeyJTDRAOCJEWCFDU-UHFFFAOYSA-N
XLogP2.62
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol 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

(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-nitrophenol
CID 171192076
4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094
(R)-diethoxyphosphoryl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 171192428
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
CID 171192137
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[1-diethoxyphosphoryl-2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 10294875
2-[diethoxyphosphoryl-(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenol
CID 162399742
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189

Frequently Asked Questions

What is the IUPAC name of 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol (CID 102231282) is 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol is CCOP(=O)(OCC)C(N)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol?
The InChIKey is JTDRAOCJEWCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO5P/c1-4-17-19(15,18-5-2)12(13)9-6-7-10(14)11(8-9)16-3/h6-8,12,14H,4-5,13H2,1-3H3.
What are the key properties of 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol?
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol has a molecular weight of 289.27 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol is sourced from PubChem (CID 102231282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).