[(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid

C19H19N2O2P — CID 11439152

IUPAC[(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid
SMILESO=P(O)(c1ccccc1)C(NCc1ccccc1)c1ccccn1
InChIInChI=1S/C19H19N2O2P/c22-24(23,17-11-5-2-6-12-17)19(18-13-7-8-14-20-18)21-15-16-9-3-1-4-10-16/h1-14,19,21H,15H2,(H,22,23)
InChIKeyKBFFGLYTLUYFCS-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.47
Rot. Bonds6

About [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid

[(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid (PubChem CID 11439152) has the molecular formula C19H19N2O2P and a molecular weight of 338.35 g/mol. Its IUPAC name is [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid.

Molecular Properties

Compound Name[(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid
PubChem CID11439152
Molecular FormulaC19H19N2O2P
Molecular Weight338.35 g/mol
Exact Mass338.12
IUPAC Name[(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid
SMILESO=P(O)(c1ccccc1)C(NCc1ccccc1)c1ccccn1
InChIInChI=1S/C19H19N2O2P/c22-24(23,17-11-5-2-6-12-17)19(18-13-7-8-14-20-18)21-15-16-9-3-1-4-10-16/h1-14,19,21H,15H2,(H,22,23)
InChIKeyKBFFGLYTLUYFCS-UHFFFAOYSA-N
XLogP3.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
[(5-Phenylpyridin-2-Yl)methyl]phosphonic Acid
CID 50897581
Amd-8664
CID 483559
3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
CID 134132646
2-[(Diphenylphosphoryl)methyl]pyridine
CID 780088
n-Benzyl-2-(pyridin-2-yl)ethanamine
CID 238354
2-(2-(Diphenylphosphino)ethyl)pyridine
CID 611860
Benzyl-pyridin-2-ylmethyl-amine
CID 795879
2-Pyridinemethanamine, N-((4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl)methyl)-
CID 462935
N-(2-pyridinylmethyl)-N-{4-[4,7,10-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl]benzyl}amine
CID 503779
3-fluoro-N-[[6-[(3-fluoroanilino)methyl]-3-pyridinyl]methyl]aniline
CID 134135695
4-ethyl-N-[[6-[(4-ethylanilino)methyl]-3-pyridinyl]methyl]aniline
CID 145233160

Frequently Asked Questions

What is the IUPAC name of [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid?
The IUPAC name of [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid (CID 11439152) is [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid.
What is the SMILES notation for [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid?
The canonical SMILES for [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid is O=P(O)(c1ccccc1)C(NCc1ccccc1)c1ccccn1.
What is the InChIKey of [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid?
The InChIKey is KBFFGLYTLUYFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2P/c22-24(23,17-11-5-2-6-12-17)19(18-13-7-8-14-20-18)21-15-16-9-3-1-4-10-16/h1-14,19,21H,15H2,(H,22,23).
What are the key properties of [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid?
[(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid has a molecular weight of 338.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(benzylamino)-pyridin-2-ylmethyl]-phenylphosphinic acid is sourced from PubChem (CID 11439152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).