(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine

C22H25N2P — CID 102382785

IUPAC(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine
SMILESC[C@@H](NP(N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N2P/c1-18(20-12-6-3-7-13-20)23-25(22-16-10-5-11-17-22)24-19(2)21-14-8-4-9-15-21/h3-19,23-24H,1-2H3/t18-,19-/m1/s1
InChIKeyPNWHEKYAUFWHHN-RTBURBONSA-N
MW348.43 g/mol
LogP5.33
Rot. Bonds7

About (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine

(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine (PubChem CID 102382785) has the molecular formula C22H25N2P and a molecular weight of 348.43 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine
PubChem CID102382785
Molecular FormulaC22H25N2P
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine
SMILESC[C@@H](NP(N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N2P/c1-18(20-12-6-3-7-13-20)23-25(22-16-10-5-11-17-22)24-19(2)21-14-8-4-9-15-21/h3-19,23-24H,1-2H3/t18-,19-/m1/s1
InChIKeyPNWHEKYAUFWHHN-RTBURBONSA-N
XLogP5.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine (CID 102382785) is (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine is C[C@@H](NP(N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine?
The InChIKey is PNWHEKYAUFWHHN-RTBURBONSA-N. The full InChI is InChI=1S/C22H25N2P/c1-18(20-12-6-3-7-13-20)23-25(22-16-10-5-11-17-22)24-19(2)21-14-8-4-9-15-21/h3-19,23-24H,1-2H3/t18-,19-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine?
(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine has a molecular weight of 348.43 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine is sourced from PubChem (CID 102382785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).