(1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine

C21H22NP — CID 46176707

IUPAC(1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine
SMILESC[C@H](N)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NP/c1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,22H2,1H3/t17-,21+/m0/s1
InChIKeyJWZAIGGNEGTDMG-LAUBAEHRSA-N
MW319.39 g/mol
LogP4.21
Rot. Bonds5

About (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine

(1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine (PubChem CID 46176707) has the molecular formula C21H22NP and a molecular weight of 319.39 g/mol. Its IUPAC name is (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine
PubChem CID46176707
Molecular FormulaC21H22NP
Molecular Weight319.39 g/mol
Exact Mass319.15
IUPAC Name(1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine
SMILESC[C@H](N)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NP/c1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,22H2,1H3/t17-,21+/m0/s1
InChIKeyJWZAIGGNEGTDMG-LAUBAEHRSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.21
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,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine (CID 46176707) is (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine is C[C@H](N)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine?
The InChIKey is JWZAIGGNEGTDMG-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H22NP/c1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,22H2,1H3/t17-,21+/m0/s1.
What are the key properties of (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine?
(1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine has a molecular weight of 319.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine is sourced from PubChem (CID 46176707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).