N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine

C28H27FNO3P — CID 102518496

IUPACN-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C28H27FNO3P/c29-27-18-16-26(17-19-27)28(30-20-23-10-4-1-5-11-23)34(31,32-21-24-12-6-2-7-13-24)33-22-25-14-8-3-9-15-25/h1-19,28,30H,20-22H2
InChIKeyRYUKOHFGJKOIGZ-UHFFFAOYSA-N
MW475.50 g/mol
LogP7.24
Rot. Bonds11

About N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine

N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine (PubChem CID 102518496) has the molecular formula C28H27FNO3P and a molecular weight of 475.50 g/mol. Its IUPAC name is N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine
PubChem CID102518496
Molecular FormulaC28H27FNO3P
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC NameN-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C28H27FNO3P/c29-27-18-16-26(17-19-27)28(30-20-23-10-4-1-5-11-23)34(31,32-21-24-12-6-2-7-13-24)33-22-25-14-8-3-9-15-25/h1-19,28,30H,20-22H2
InChIKeyRYUKOHFGJKOIGZ-UHFFFAOYSA-N
XLogP7.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl benzylphosphoramidate
CID 275759
Dibenzyl (alpha-anilinobenzyl)-phosphonate
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N-benzyl-1-[ethoxy-(2,3,4,5,6-pentafluorophenyl)phosphoryl]-1-phenylmethanamine
CID 134935332
Phosphonic acid, [phenyl[(phenylmethyl)amino]methyl]-, diphenyl ester
CID 2876041
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
1-phenyl-N-[phenyl(phenylmethoxy)phosphoryl]methanamine
CID 143869057
1-Benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine
CID 102449166
(2S,3S,5S,6R)-3,5,6-triphenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 134847235
N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
CID 134907355
(2S,3S,5S,6R)-3,5,6-triphenyl-2-[(E)-2-phenylethenyl]-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 134934926
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
benzyl-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]azanium
CID 1933687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine (CID 102518496) is N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine is O=P(OCc1ccccc1)(OCc1ccccc1)C(NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine?
The InChIKey is RYUKOHFGJKOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FNO3P/c29-27-18-16-26(17-19-27)28(30-20-23-10-4-1-5-11-23)34(31,32-21-24-12-6-2-7-13-24)33-22-25-14-8-3-9-15-25/h1-19,28,30H,20-22H2.
What are the key properties of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine?
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine has a molecular weight of 475.50 g/mol, XLogP of 7.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 102518496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).