1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine

C16H21NOP2 — CID 134932688

IUPAC1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine
SMILESCN(CP(C)(C)=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H21NOP2/c1-17(14-20(2,3)18)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeySTBNTLHKOPDOFR-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.55
Rot. Bonds5

About 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine

1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine (PubChem CID 134932688) has the molecular formula C16H21NOP2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine.

Molecular Properties

Compound Name1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine
PubChem CID134932688
Molecular FormulaC16H21NOP2
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine
SMILESCN(CP(C)(C)=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H21NOP2/c1-17(14-20(2,3)18)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeySTBNTLHKOPDOFR-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyldiphenylphosphine oxide
CID 75041
(1-Methylethyl)diphenylphosphine oxide
CID 76294
2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
Phosphine oxide, butyldiphenyl-
CID 199471
Phosphine oxide, diphenylpropyl-
CID 199488
Phosphine oxide, diphenyloctyl-
CID 207340
(2-Methylpropyl)diphenylphosphine oxide
CID 3047249
Phosphine oxide, diphenylpentyl-
CID 13152584
Diphenylphosphinamide
CID 853560
[2-(Diphenylphosphoryl)ethyl](oxo)dipropylphosphine
CID 1711760
[2-(Diethylphosphoryl)-2-methylpropyl](diphenyl)phosphine oxide
CID 1378145

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine?
The IUPAC name of 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine (CID 134932688) is 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine.
What is the SMILES notation for 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine?
The canonical SMILES for 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine is CN(CP(C)(C)=O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine?
The InChIKey is STBNTLHKOPDOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOP2/c1-17(14-20(2,3)18)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine?
1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine has a molecular weight of 305.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine is sourced from PubChem (CID 134932688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).