(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine

C23H28NOPSn — CID 135005736

IUPAC(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine
SMILESCN([C@H](c1ccccc1)[Sn](C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NOP.3CH3.Sn/c1-21(17-18-11-5-2-6-12-18)23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20;;;;/h2-17H,1H3;3*1H3;
InChIKeyNLLXIEBORJQNLE-UHFFFAOYSA-N
MW484.17 g/mol
LogP5.47
Rot. Bonds6

About (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine

(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine (PubChem CID 135005736) has the molecular formula C23H28NOPSn and a molecular weight of 484.17 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine
PubChem CID135005736
Molecular FormulaC23H28NOPSn
Molecular Weight484.17 g/mol
Exact Mass485.09
IUPAC Name(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine
SMILESCN([C@H](c1ccccc1)[Sn](C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NOP.3CH3.Sn/c1-21(17-18-11-5-2-6-12-18)23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20;;;;/h2-17H,1H3;3*1H3;
InChIKeyNLLXIEBORJQNLE-UHFFFAOYSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine?
The IUPAC name of (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine (CID 135005736) is (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine is CN([C@H](c1ccccc1)[Sn](C)(C)C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine?
The InChIKey is NLLXIEBORJQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOP.3CH3.Sn/c1-21(17-18-11-5-2-6-12-18)23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20;;;;/h2-17H,1H3;3*1H3;.
What are the key properties of (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine?
(1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine has a molecular weight of 484.17 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-N-methyl-1-phenyl-1-trimethylstannylmethanamine is sourced from PubChem (CID 135005736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).