(1S)-2-diphenylphosphanyl-1-phenylethanamine

C20H20NP — CID 70861903

IUPAC(1S)-2-diphenylphosphanyl-1-phenylethanamine
SMILESN[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NP/c21-20(17-10-4-1-5-11-17)16-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,21H2/t20-/m1/s1
InChIKeyOTNYDYNCOCRMDG-HXUWFJFHSA-N
MW305.36 g/mol
LogP3.82
Rot. Bonds5

About (1S)-2-diphenylphosphanyl-1-phenylethanamine

(1S)-2-diphenylphosphanyl-1-phenylethanamine (PubChem CID 70861903) has the molecular formula C20H20NP and a molecular weight of 305.36 g/mol. Its IUPAC name is (1S)-2-diphenylphosphanyl-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-diphenylphosphanyl-1-phenylethanamine
PubChem CID70861903
Molecular FormulaC20H20NP
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name(1S)-2-diphenylphosphanyl-1-phenylethanamine
SMILESN[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NP/c21-20(17-10-4-1-5-11-17)16-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,21H2/t20-/m1/s1
InChIKeyOTNYDYNCOCRMDG-HXUWFJFHSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.82
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)-2-diphenylphosphanyl-1-phenylethanamine?
The IUPAC name of (1S)-2-diphenylphosphanyl-1-phenylethanamine (CID 70861903) is (1S)-2-diphenylphosphanyl-1-phenylethanamine.
What is the SMILES notation for (1S)-2-diphenylphosphanyl-1-phenylethanamine?
The canonical SMILES for (1S)-2-diphenylphosphanyl-1-phenylethanamine is N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-diphenylphosphanyl-1-phenylethanamine?
The InChIKey is OTNYDYNCOCRMDG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20NP/c21-20(17-10-4-1-5-11-17)16-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,21H2/t20-/m1/s1.
What are the key properties of (1S)-2-diphenylphosphanyl-1-phenylethanamine?
(1S)-2-diphenylphosphanyl-1-phenylethanamine has a molecular weight of 305.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-diphenylphosphanyl-1-phenylethanamine is sourced from PubChem (CID 70861903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).