bis[(benzylamino)methyl]phosphinic acid

C16H21N2O2P — CID 791683

IUPACbis[(benzylamino)methyl]phosphinic acid
SMILESO=P(O)(CNCc1ccccc1)CNCc1ccccc1
InChIInChI=1S/C16H21N2O2P/c19-21(20,13-17-11-15-7-3-1-4-8-15)14-18-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,19,20)
InChIKeyIPFIUNNFYBRNHG-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.75
Rot. Bonds8

About bis[(benzylamino)methyl]phosphinic acid

bis[(benzylamino)methyl]phosphinic acid (PubChem CID 791683) has the molecular formula C16H21N2O2P and a molecular weight of 304.33 g/mol. Its IUPAC name is bis[(benzylamino)methyl]phosphinic acid.

Molecular Properties

Compound Namebis[(benzylamino)methyl]phosphinic acid
PubChem CID791683
Molecular FormulaC16H21N2O2P
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Namebis[(benzylamino)methyl]phosphinic acid
SMILESO=P(O)(CNCc1ccccc1)CNCc1ccccc1
InChIInChI=1S/C16H21N2O2P/c19-21(20,13-17-11-15-7-3-1-4-8-15)14-18-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,19,20)
InChIKeyIPFIUNNFYBRNHG-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(benzylamino)methyl]phosphinic acid?
The IUPAC name of bis[(benzylamino)methyl]phosphinic acid (CID 791683) is bis[(benzylamino)methyl]phosphinic acid.
What is the SMILES notation for bis[(benzylamino)methyl]phosphinic acid?
The canonical SMILES for bis[(benzylamino)methyl]phosphinic acid is O=P(O)(CNCc1ccccc1)CNCc1ccccc1.
What is the InChIKey of bis[(benzylamino)methyl]phosphinic acid?
The InChIKey is IPFIUNNFYBRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O2P/c19-21(20,13-17-11-15-7-3-1-4-8-15)14-18-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,19,20).
What are the key properties of bis[(benzylamino)methyl]phosphinic acid?
bis[(benzylamino)methyl]phosphinic acid has a molecular weight of 304.33 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(benzylamino)methyl]phosphinic acid is sourced from PubChem (CID 791683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).