(2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine

C28H28NP — CID 134067985

IUPAC(2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine
SMILESN[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28NP/c29-27(21-23-13-5-1-6-14-23)28(22-24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22,29H2/t27-,28-/m1/s1
InChIKeyVIRVQNGBKNYNCL-VSGBNLITSA-N
MW409.51 g/mol
LogP5.30
Rot. Bonds8

About (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine

(2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine (PubChem CID 134067985) has the molecular formula C28H28NP and a molecular weight of 409.51 g/mol. Its IUPAC name is (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine
PubChem CID134067985
Molecular FormulaC28H28NP
Molecular Weight409.51 g/mol
Exact Mass409.20
IUPAC Name(2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine
SMILESN[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28NP/c29-27(21-23-13-5-1-6-14-23)28(22-24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22,29H2/t27-,28-/m1/s1
InChIKeyVIRVQNGBKNYNCL-VSGBNLITSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.30
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 (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine?
The IUPAC name of (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine (CID 134067985) is (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine.
What is the SMILES notation for (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine?
The canonical SMILES for (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine is N[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine?
The InChIKey is VIRVQNGBKNYNCL-VSGBNLITSA-N. The full InChI is InChI=1S/C28H28NP/c29-27(21-23-13-5-1-6-14-23)28(22-24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22,29H2/t27-,28-/m1/s1.
What are the key properties of (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine?
(2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine has a molecular weight of 409.51 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-diphenylphosphanyl-1,4-diphenylbutan-2-amine is sourced from PubChem (CID 134067985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).