(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine

C21H22NO2P — CID 44521537

IUPAC(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine
SMILESCc1cccc(C)c1P(=O)(/N=C/c1ccco1)c1c(C)cccc1C
InChIInChI=1S/C21H22NO2P/c1-15-8-5-9-16(2)20(15)25(23,22-14-19-12-7-13-24-19)21-17(3)10-6-11-18(21)4/h5-14H,1-4H3/b22-14+
InChIKeyNWUDUPMWCVLXAI-HYARGMPZSA-N
MW351.39 g/mol
LogP4.86
Rot. Bonds4

About (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine

(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine (PubChem CID 44521537) has the molecular formula C21H22NO2P and a molecular weight of 351.39 g/mol. Its IUPAC name is (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine
PubChem CID44521537
Molecular FormulaC21H22NO2P
Molecular Weight351.39 g/mol
Exact Mass351.14
IUPAC Name(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine
SMILESCc1cccc(C)c1P(=O)(/N=C/c1ccco1)c1c(C)cccc1C
InChIInChI=1S/C21H22NO2P/c1-15-8-5-9-16(2)20(15)25(23,22-14-19-12-7-13-24-19)21-17(3)10-6-11-18(21)4/h5-14H,1-4H3/b22-14+
InChIKeyNWUDUPMWCVLXAI-HYARGMPZSA-N
XLogP4.86
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine?
The IUPAC name of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine (CID 44521537) is (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine.
What is the SMILES notation for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine?
The canonical SMILES for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine is Cc1cccc(C)c1P(=O)(/N=C/c1ccco1)c1c(C)cccc1C.
What is the InChIKey of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine?
The InChIKey is NWUDUPMWCVLXAI-HYARGMPZSA-N. The full InChI is InChI=1S/C21H22NO2P/c1-15-8-5-9-16(2)20(15)25(23,22-14-19-12-7-13-24-19)21-17(3)10-6-11-18(21)4/h5-14H,1-4H3/b22-14+.
What are the key properties of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine?
(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine has a molecular weight of 351.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(furan-2-yl)methanimine is sourced from PubChem (CID 44521537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).