(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine

C21H22NOP — CID 11823868

IUPAC(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine
SMILESCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NOP/c1-2-21(18-12-6-3-7-13-18)22-24(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyHQDHJTAGSXKLNI-NRFANRHFSA-N
MW335.39 g/mol
LogP4.66
Rot. Bonds6

About (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine

(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine (PubChem CID 11823868) has the molecular formula C21H22NOP and a molecular weight of 335.39 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine
PubChem CID11823868
Molecular FormulaC21H22NOP
Molecular Weight335.39 g/mol
Exact Mass335.14
IUPAC Name(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine
SMILESCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NOP/c1-2-21(18-12-6-3-7-13-18)22-24(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyHQDHJTAGSXKLNI-NRFANRHFSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.66
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-phenylpropan-1-amine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine (CID 11823868) is (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine is CC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine?
The InChIKey is HQDHJTAGSXKLNI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22NOP/c1-2-21(18-12-6-3-7-13-18)22-24(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3,(H,22,23)/t21-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine?
(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine has a molecular weight of 335.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine is sourced from PubChem (CID 11823868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).