2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine

C16H28NO4P — CID 67677620

IUPAC2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine
SMILESCCOC(OCC)P(=O)(OCC)C(C)(CN)c1ccccc1
InChIInChI=1S/C16H28NO4P/c1-5-19-15(20-6-2)22(18,21-7-3)16(4,13-17)14-11-9-8-10-12-14/h8-12,15H,5-7,13,17H2,1-4H3
InChIKeyCJHRREJVJRTECM-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.53
Rot. Bonds10

About 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine

2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine (PubChem CID 67677620) has the molecular formula C16H28NO4P and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine
PubChem CID67677620
Molecular FormulaC16H28NO4P
Molecular Weight329.38 g/mol
Exact Mass329.18
IUPAC Name2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine
SMILESCCOC(OCC)P(=O)(OCC)C(C)(CN)c1ccccc1
InChIInChI=1S/C16H28NO4P/c1-5-19-15(20-6-2)22(18,21-7-3)16(4,13-17)14-11-9-8-10-12-14/h8-12,15H,5-7,13,17H2,1-4H3
InChIKeyCJHRREJVJRTECM-UHFFFAOYSA-N
XLogP3.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine 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

(3R)-1-[diethoxymethyl(ethoxy)phosphoryl]-3-(tritylamino)butan-2-ol
CID 10007060
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
(2-tert-butylperoxy-1-diethoxyphosphorylpropan-2-yl)benzene
CID 154712033
[3,3-bis(diethoxyphosphoryl)-1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]benzene
CID 174954785
2-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
2-chloro-2-diethoxyphosphoryl-2-phenylacetaldehyde
CID 11162104
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol
CID 129388666
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
(1S)-1-[3,3-dimethylbut-1-ynyl(ethoxy)phosphoryl]-1-phenylethanol
CID 11862925
CID 135069012
CID 135069012

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine?
The IUPAC name of 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine (CID 67677620) is 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine.
What is the SMILES notation for 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine?
The canonical SMILES for 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine is CCOC(OCC)P(=O)(OCC)C(C)(CN)c1ccccc1.
What is the InChIKey of 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine?
The InChIKey is CJHRREJVJRTECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28NO4P/c1-5-19-15(20-6-2)22(18,21-7-3)16(4,13-17)14-11-9-8-10-12-14/h8-12,15H,5-7,13,17H2,1-4H3.
What are the key properties of 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine?
2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine has a molecular weight of 329.38 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine is sourced from PubChem (CID 67677620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).