N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine

C28H28NO3P — CID 135004441

IUPACN-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H28NO3P/c30-33(31-22-25-15-7-2-8-16-25,32-23-26-17-9-3-10-18-26)28(27-19-11-4-12-20-27)29-21-24-13-5-1-6-14-24/h1-20,28-29H,21-23H2
InChIKeyYPDBPQINDQLVRN-UHFFFAOYSA-N
MW457.51 g/mol
LogP7.10
Rot. Bonds11

About N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine

N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine (PubChem CID 135004441) has the molecular formula C28H28NO3P and a molecular weight of 457.51 g/mol. Its IUPAC name is N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
PubChem CID135004441
Molecular FormulaC28H28NO3P
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC NameN-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H28NO3P/c30-33(31-22-25-15-7-2-8-16-25,32-23-26-17-9-3-10-18-26)28(27-19-11-4-12-20-27)29-21-24-13-5-1-6-14-24/h1-20,28-29H,21-23H2
InChIKeyYPDBPQINDQLVRN-UHFFFAOYSA-N
XLogP7.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 57.10
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

N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
CID 563390
(1S)-N-benzyl-1-(4-chlorophenyl)-1-dimethoxyphosphorylmethanamine
CID 139054525
[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
CID 950630
(1S)-N-benzyl-1-diethoxyphosphoryl-1-(3-nitrophenyl)methanamine
CID 95091752
N-benzyl-1-dimethoxyphosphoryl-1-(3-methoxyphenyl)methanamine
CID 102366933
3-[[(S)-(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 7079116
3-[[(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 3460999
(1S)-N-benzyl-1-[bis[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphoryl]-1-phenylmethanamine
CID 98095891
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
[5-[(R)-bis(phenylmethoxy)phosphoryl-[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 15254887
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine?
The IUPAC name of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine (CID 135004441) is N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine is O=P(OCc1ccccc1)(OCc1ccccc1)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine?
The InChIKey is YPDBPQINDQLVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NO3P/c30-33(31-22-25-15-7-2-8-16-25,32-23-26-17-9-3-10-18-26)28(27-19-11-4-12-20-27)29-21-24-13-5-1-6-14-24/h1-20,28-29H,21-23H2.
What are the key properties of N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine?
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine has a molecular weight of 457.51 g/mol, XLogP of 7.10, 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-phenylmethanamine is sourced from PubChem (CID 135004441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).