phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid

C11H18NO2P — CID 12596029

IUPACphenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid
SMILESCC(C)NC(C)P(=O)(O)c1ccccc1
InChIInChI=1S/C11H18NO2P/c1-9(2)12-10(3)15(13,14)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,13,14)
InChIKeyHSVCABYCGJWQFD-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.93
Rot. Bonds4

About phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid

phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid (PubChem CID 12596029) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid.

Molecular Properties

Compound Namephenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid
PubChem CID12596029
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Namephenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid
SMILESCC(C)NC(C)P(=O)(O)c1ccccc1
InChIInChI=1S/C11H18NO2P/c1-9(2)12-10(3)15(13,14)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,13,14)
InChIKeyHSVCABYCGJWQFD-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-[1-(propan-2-ylamino)ethyl]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 phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid?
The IUPAC name of phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid (CID 12596029) is phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid.
What is the SMILES notation for phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid?
The canonical SMILES for phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid is CC(C)NC(C)P(=O)(O)c1ccccc1.
What is the InChIKey of phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid?
The InChIKey is HSVCABYCGJWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-9(2)12-10(3)15(13,14)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,13,14).
What are the key properties of phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid?
phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid has a molecular weight of 227.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid is sourced from PubChem (CID 12596029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).