1-aminoethyl(phenyl)phosphinic acid

C8H12NO2P — CID 4290894

IUPAC1-aminoethyl(phenyl)phosphinic acid
SMILESCC(N)P(=O)(O)c1ccccc1
InChIInChI=1S/C8H12NO2P/c1-7(9)12(10,11)8-5-3-2-4-6-8/h2-7H,9H2,1H3,(H,10,11)
InChIKeyIOBMBSIPKVBBCB-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.89
Rot. Bonds2

About 1-aminoethyl(phenyl)phosphinic acid

1-aminoethyl(phenyl)phosphinic acid (PubChem CID 4290894) has the molecular formula C8H12NO2P and a molecular weight of 185.16 g/mol. Its IUPAC name is 1-aminoethyl(phenyl)phosphinic acid.

Molecular Properties

Compound Name1-aminoethyl(phenyl)phosphinic acid
PubChem CID4290894
Molecular FormulaC8H12NO2P
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name1-aminoethyl(phenyl)phosphinic acid
SMILESCC(N)P(=O)(O)c1ccccc1
InChIInChI=1S/C8H12NO2P/c1-7(9)12(10,11)8-5-3-2-4-6-8/h2-7H,9H2,1H3,(H,10,11)
InChIKeyIOBMBSIPKVBBCB-UHFFFAOYSA-N
XLogP0.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-aminoethyl(phenyl)phosphinic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl(phenyl)phosphinic acid?
The IUPAC name of 1-aminoethyl(phenyl)phosphinic acid (CID 4290894) is 1-aminoethyl(phenyl)phosphinic acid.
What is the SMILES notation for 1-aminoethyl(phenyl)phosphinic acid?
The canonical SMILES for 1-aminoethyl(phenyl)phosphinic acid is CC(N)P(=O)(O)c1ccccc1.
What is the InChIKey of 1-aminoethyl(phenyl)phosphinic acid?
The InChIKey is IOBMBSIPKVBBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO2P/c1-7(9)12(10,11)8-5-3-2-4-6-8/h2-7H,9H2,1H3,(H,10,11).
What are the key properties of 1-aminoethyl(phenyl)phosphinic acid?
1-aminoethyl(phenyl)phosphinic acid has a molecular weight of 185.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl(phenyl)phosphinic acid is sourced from PubChem (CID 4290894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).