2-aminoethyl(2-phenylethyl)phosphinic acid

C10H16NO2P — CID 949642

IUPAC2-aminoethyl(2-phenylethyl)phosphinic acid
SMILESNCCP(=O)(O)CCc1ccccc1
InChIInChI=1S/C10H16NO2P/c11-7-9-14(12,13)8-6-10-4-2-1-3-5-10/h1-5H,6-9,11H2,(H,12,13)
InChIKeyYBHMGCYOJUHHNU-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.46
Rot. Bonds5

About 2-aminoethyl(2-phenylethyl)phosphinic acid

2-aminoethyl(2-phenylethyl)phosphinic acid (PubChem CID 949642) has the molecular formula C10H16NO2P and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-aminoethyl(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name2-aminoethyl(2-phenylethyl)phosphinic acid
PubChem CID949642
Molecular FormulaC10H16NO2P
Molecular Weight213.22 g/mol
Exact Mass213.09
IUPAC Name2-aminoethyl(2-phenylethyl)phosphinic acid
SMILESNCCP(=O)(O)CCc1ccccc1
InChIInChI=1S/C10H16NO2P/c11-7-9-14(12,13)8-6-10-4-2-1-3-5-10/h1-5H,6-9,11H2,(H,12,13)
InChIKeyYBHMGCYOJUHHNU-UHFFFAOYSA-N
XLogP1.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
CID 6602756
2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
[(E)-but-2-enyl]-(2-phenylethyl)phosphinic acid
CID 67394631
3-[hydroxy(2-phenylethyl)phosphoryl]-2-methylpropanoic acid
CID 46213969
2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
CID 177244473
2-dichlorophosphorylethylbenzene
CID 15169214
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
formic acid;2-phenylethanamine
CID 174535099
hydroxy(oxo)phosphanium;2-phenylethanamine
CID 173363711
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(2-phenylethyl)phosphinic acid?
The IUPAC name of 2-aminoethyl(2-phenylethyl)phosphinic acid (CID 949642) is 2-aminoethyl(2-phenylethyl)phosphinic acid.
What is the SMILES notation for 2-aminoethyl(2-phenylethyl)phosphinic acid?
The canonical SMILES for 2-aminoethyl(2-phenylethyl)phosphinic acid is NCCP(=O)(O)CCc1ccccc1.
What is the InChIKey of 2-aminoethyl(2-phenylethyl)phosphinic acid?
The InChIKey is YBHMGCYOJUHHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2P/c11-7-9-14(12,13)8-6-10-4-2-1-3-5-10/h1-5H,6-9,11H2,(H,12,13).
What are the key properties of 2-aminoethyl(2-phenylethyl)phosphinic acid?
2-aminoethyl(2-phenylethyl)phosphinic acid has a molecular weight of 213.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 949642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).