methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane

C16H20NO2P — CID 58890302

IUPACmethyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane
SMILESCN=P(C)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C16H20NO2P/c1-13-5-9-15(10-6-13)18-20(4,17-3)19-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeySMPWHHANHPANGH-UHFFFAOYSA-N
MW289.32 g/mol
LogP5.05
Rot. Bonds4

About methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane

methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane (PubChem CID 58890302) has the molecular formula C16H20NO2P and a molecular weight of 289.32 g/mol. Its IUPAC name is methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane.

Molecular Properties

Compound Namemethyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane
PubChem CID58890302
Molecular FormulaC16H20NO2P
Molecular Weight289.32 g/mol
Exact Mass289.12
IUPAC Namemethyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane
SMILESCN=P(C)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C16H20NO2P/c1-13-5-9-15(10-6-13)18-20(4,17-3)19-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeySMPWHHANHPANGH-UHFFFAOYSA-N
XLogP5.05
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.32
LogP ≤ 55.05
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 methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane?
The IUPAC name of methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane (CID 58890302) is methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane.
What is the SMILES notation for methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane?
The canonical SMILES for methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane is CN=P(C)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.
What is the InChIKey of methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane?
The InChIKey is SMPWHHANHPANGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2P/c1-13-5-9-15(10-6-13)18-20(4,17-3)19-16-11-7-14(2)8-12-16/h5-12H,1-4H3.
What are the key properties of methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane?
methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane has a molecular weight of 289.32 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylimino-bis(4-methylphenoxy)-λ5-phosphane is sourced from PubChem (CID 58890302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).