1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane

C20H29N3P2 — CID 71102345

IUPAC1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane
SMILESCC(P)N1CN(C(P)c2ccccc2)CN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C20H29N3P2/c1-16(18-9-5-3-6-10-18)21-13-22(17(2)24)15-23(14-21)20(25)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15,24-25H2,1-2H3/t16-,17?,20?/m0/s1
InChIKeyNDXURNIVYRGDTR-VXESANQCSA-N
MW373.42 g/mol
LogP4.33
Rot. Bonds5

About 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane

1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane (PubChem CID 71102345) has the molecular formula C20H29N3P2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane.

Molecular Properties

Compound Name1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane
PubChem CID71102345
Molecular FormulaC20H29N3P2
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane
SMILESCC(P)N1CN(C(P)c2ccccc2)CN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C20H29N3P2/c1-16(18-9-5-3-6-10-18)21-13-22(17(2)24)15-23(14-21)20(25)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15,24-25H2,1-2H3/t16-,17?,20?/m0/s1
InChIKeyNDXURNIVYRGDTR-VXESANQCSA-N
XLogP4.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane?
The IUPAC name of 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane (CID 71102345) is 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane.
What is the SMILES notation for 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane?
The canonical SMILES for 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane is CC(P)N1CN(C(P)c2ccccc2)CN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane?
The InChIKey is NDXURNIVYRGDTR-VXESANQCSA-N. The full InChI is InChI=1S/C20H29N3P2/c1-16(18-9-5-3-6-10-18)21-13-22(17(2)24)15-23(14-21)20(25)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15,24-25H2,1-2H3/t16-,17?,20?/m0/s1.
What are the key properties of 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane?
1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane has a molecular weight of 373.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-1-phenylethyl]-5-[phenyl(phosphanyl)methyl]-1,3,5-triazinan-1-yl]ethylphosphane is sourced from PubChem (CID 71102345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).