1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine

C30H37NO6P2 — CID 102252523

IUPAC1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine
SMILESCCOP(=O)(OCC)C(NC(c1ccc2ccccc2c1)P(=O)(OCC)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C30H37NO6P2/c1-5-34-38(32,35-6-2)29(27-19-17-23-13-9-11-15-25(23)21-27)31-30(39(33,36-7-3)37-8-4)28-20-18-24-14-10-12-16-26(24)22-28/h9-22,29-31H,5-8H2,1-4H3
InChIKeyUMKFNYJQNZZCIT-UHFFFAOYSA-N
MW569.58 g/mol
LogP8.81
Rot. Bonds14

About 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine

1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine (PubChem CID 102252523) has the molecular formula C30H37NO6P2 and a molecular weight of 569.58 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine
PubChem CID102252523
Molecular FormulaC30H37NO6P2
Molecular Weight569.58 g/mol
Exact Mass569.21
IUPAC Name1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine
SMILESCCOP(=O)(OCC)C(NC(c1ccc2ccccc2c1)P(=O)(OCC)OCC)c1ccc2ccccc2c1
InChIInChI=1S/C30H37NO6P2/c1-5-34-38(32,35-6-2)29(27-19-17-23-13-9-11-15-25(23)21-27)31-30(39(33,36-7-3)37-8-4)28-20-18-24-14-10-12-16-26(24)22-28/h9-22,29-31H,5-8H2,1-4H3
InChIKeyUMKFNYJQNZZCIT-UHFFFAOYSA-N
XLogP8.81
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.58
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 23420188
[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate
CID 71420194
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
CID 23415563
N-[diethoxyphosphoryl-(3-fluorophenyl)methyl]-2-fluoroaniline
CID 16744084
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
(3-methoxy-1-naphthalen-2-ylpropyl)hydrazine
CID 105206319
N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline
CID 102378436
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
N-[anthracen-9-yl(diethoxyphosphoryl)methyl]-4-methylaniline
CID 57397637

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine (CID 102252523) is 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine is CCOP(=O)(OCC)C(NC(c1ccc2ccccc2c1)P(=O)(OCC)OCC)c1ccc2ccccc2c1.
What is the InChIKey of 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine?
The InChIKey is UMKFNYJQNZZCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO6P2/c1-5-34-38(32,35-6-2)29(27-19-17-23-13-9-11-15-25(23)21-27)31-30(39(33,36-7-3)37-8-4)28-20-18-24-14-10-12-16-26(24)22-28/h9-22,29-31H,5-8H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine?
1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine has a molecular weight of 569.58 g/mol, XLogP of 8.81, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 102252523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).