(1S)-N-diphenylphosphoryl-1-phenylethanamine

C20H20NOP — CID 11809405

IUPAC(1S)-N-diphenylphosphoryl-1-phenylethanamine
SMILESC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NOP/c1-17(18-11-5-2-6-12-18)21-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,21,22)/t17-/m0/s1
InChIKeyWFZGOJVHXZLREL-KRWDZBQOSA-N
MW321.36 g/mol
LogP4.27
Rot. Bonds5

About (1S)-N-diphenylphosphoryl-1-phenylethanamine

(1S)-N-diphenylphosphoryl-1-phenylethanamine (PubChem CID 11809405) has the molecular formula C20H20NOP and a molecular weight of 321.36 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-phenylethanamine
PubChem CID11809405
Molecular FormulaC20H20NOP
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name(1S)-N-diphenylphosphoryl-1-phenylethanamine
SMILESC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NOP/c1-17(18-11-5-2-6-12-18)21-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,21,22)/t17-/m0/s1
InChIKeyWFZGOJVHXZLREL-KRWDZBQOSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
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-phenylethanamine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-phenylethanamine (CID 11809405) is (1S)-N-diphenylphosphoryl-1-phenylethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-phenylethanamine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-phenylethanamine is C[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-phenylethanamine?
The InChIKey is WFZGOJVHXZLREL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20NOP/c1-17(18-11-5-2-6-12-18)21-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-phenylethanamine?
(1S)-N-diphenylphosphoryl-1-phenylethanamine has a molecular weight of 321.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-phenylethanamine is sourced from PubChem (CID 11809405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).