(1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine

C30H34NOPSn — CID 135007441

IUPAC(1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine
SMILESC[C@@H](c1ccccc1)N(C(c1ccccc1)[Sn](C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NOP.3CH3.Sn/c1-23(25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)30(29,26-18-10-4-11-19-26)27-20-12-5-13-21-27;;;;/h2-23H,1H3;3*1H3;/t23-;;;;/m0..../s1
InChIKeyBYCXYKUVALVAID-DOXBVADSSA-N
MW574.29 g/mol
LogP7.60
Rot. Bonds8

About (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine

(1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine (PubChem CID 135007441) has the molecular formula C30H34NOPSn and a molecular weight of 574.29 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine
PubChem CID135007441
Molecular FormulaC30H34NOPSn
Molecular Weight574.29 g/mol
Exact Mass575.14
IUPAC Name(1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine
SMILESC[C@@H](c1ccccc1)N(C(c1ccccc1)[Sn](C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NOP.3CH3.Sn/c1-23(25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)30(29,26-18-10-4-11-19-26)27-20-12-5-13-21-27;;;;/h2-23H,1H3;3*1H3;/t23-;;;;/m0..../s1
InChIKeyBYCXYKUVALVAID-DOXBVADSSA-N
XLogP7.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.29
LogP ≤ 57.60
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-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine (CID 135007441) is (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine is C[C@@H](c1ccccc1)N(C(c1ccccc1)[Sn](C)(C)C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine?
The InChIKey is BYCXYKUVALVAID-DOXBVADSSA-N. The full InChI is InChI=1S/C27H25NOP.3CH3.Sn/c1-23(25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)30(29,26-18-10-4-11-19-26)27-20-12-5-13-21-27;;;;/h2-23H,1H3;3*1H3;/t23-;;;;/m0..../s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine?
(1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine has a molecular weight of 574.29 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-phenyl-N-[phenyl(trimethylstannyl)methyl]ethanamine is sourced from PubChem (CID 135007441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).