N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine

C23H26NO3P — CID 134907355

IUPACN-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
SMILESCCN(Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H26NO3P/c1-2-24(18-21-12-6-3-7-13-21)28(25,26-19-22-14-8-4-9-15-22)27-20-23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3
InChIKeyVHFWIKZAHVYTCY-UHFFFAOYSA-N
MW395.44 g/mol
LogP6.05
Rot. Bonds10

About N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine

N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine (PubChem CID 134907355) has the molecular formula C23H26NO3P and a molecular weight of 395.44 g/mol. Its IUPAC name is N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine.

Molecular Properties

Compound NameN-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
PubChem CID134907355
Molecular FormulaC23H26NO3P
Molecular Weight395.44 g/mol
Exact Mass395.17
IUPAC NameN-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
SMILESCCN(Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H26NO3P/c1-2-24(18-21-12-6-3-7-13-21)28(25,26-19-22-14-8-4-9-15-22)27-20-23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3
InChIKeyVHFWIKZAHVYTCY-UHFFFAOYSA-N
XLogP6.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(benzyloxy)(diisopropylamino)phosphine
CID 196621
Dibenzyl diethylphosphoramidite
CID 5066231
Dibenzyl benzylphosphoramidate
CID 275759
N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
CID 15880805
dibenzyl N,N-diisopropylphosphoramidate
CID 11057523
N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine
CID 11131408
N,N,O-tribenzylhydroxylamine
CID 12045651
N-bis(phenylmethoxy)phosphoryl-N-methylmethanamine
CID 15250488
1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]-N-[(3-methylphenyl)methyl]methanamine
CID 20184756
Tris-(hydroxybenzyl)-amin
CID 129648776
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid
CID 10098710

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine?
The IUPAC name of N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine (CID 134907355) is N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine.
What is the SMILES notation for N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine?
The canonical SMILES for N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine is CCN(Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine?
The InChIKey is VHFWIKZAHVYTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO3P/c1-2-24(18-21-12-6-3-7-13-21)28(25,26-19-22-14-8-4-9-15-22)27-20-23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3.
What are the key properties of N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine?
N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine has a molecular weight of 395.44 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine is sourced from PubChem (CID 134907355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).