N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine

C25H23N2OP — CID 11304062

IUPACN-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine
SMILESO=P(c1ccccc1)(c1ccccc1)C(NCc1ccccc1)c1ccccn1
InChIInChI=1S/C25H23N2OP/c28-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)25(24-18-10-11-19-26-24)27-20-21-12-4-1-5-13-21/h1-19,25,27H,20H2
InChIKeyNULPJJHYNGBZOU-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.88
Rot. Bonds7

About N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine

N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine (PubChem CID 11304062) has the molecular formula C25H23N2OP and a molecular weight of 398.45 g/mol. Its IUPAC name is N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine
PubChem CID11304062
Molecular FormulaC25H23N2OP
Molecular Weight398.45 g/mol
Exact Mass398.15
IUPAC NameN-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine
SMILESO=P(c1ccccc1)(c1ccccc1)C(NCc1ccccc1)c1ccccn1
InChIInChI=1S/C25H23N2OP/c28-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)25(24-18-10-11-19-26-24)27-20-21-12-4-1-5-13-21/h1-19,25,27H,20H2
InChIKeyNULPJJHYNGBZOU-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-diphenylphosphorylethyl)pyridine
CID 15841923
methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
CID 101379126
(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
CID 101097525
(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine
CID 162374208
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
CID 950630
(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
CID 86338233
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine?
The IUPAC name of N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine (CID 11304062) is N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine is O=P(c1ccccc1)(c1ccccc1)C(NCc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine?
The InChIKey is NULPJJHYNGBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2OP/c28-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)25(24-18-10-11-19-26-24)27-20-21-12-4-1-5-13-21/h1-19,25,27H,20H2.
What are the key properties of N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine?
N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine has a molecular weight of 398.45 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 11304062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).