[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine

C15H15N2O2P — CID 143933283

IUPAC[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine
SMILES[H]/N=C/c1ccc(OPOc2ccc(/C=N/C)cc2)cc1
InChIInChI=1S/C15H15N2O2P/c1-17-11-13-4-8-15(9-5-13)19-20-18-14-6-2-12(10-16)3-7-14/h2-11,16,20H,1H3/b16-10+,17-11+
InChIKeyDWDCZVMAPGSQBG-OTYYAQKOSA-N
MW286.27 g/mol
LogP3.70
Rot. Bonds6

About [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine

[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine (PubChem CID 143933283) has the molecular formula C15H15N2O2P and a molecular weight of 286.27 g/mol. Its IUPAC name is [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine.

Molecular Properties

Compound Name[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine
PubChem CID143933283
Molecular FormulaC15H15N2O2P
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine
SMILES[H]/N=C/c1ccc(OPOc2ccc(/C=N/C)cc2)cc1
InChIInChI=1S/C15H15N2O2P/c1-17-11-13-4-8-15(9-5-13)19-20-18-14-6-2-12(10-16)3-7-14/h2-11,16,20H,1H3/b16-10+,17-11+
InChIKeyDWDCZVMAPGSQBG-OTYYAQKOSA-N
XLogP3.70
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methanimine;phenylmethanimine
CID 157101664
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
4-methanimidoylphenol
CID 135768597
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(4-propan-2-ylphenyl)methanimine
CID 22483394
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine
CID 145111056
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
benzene;bis(4-methylphenoxy)phosphane
CID 158313390
methyl 4-(4-methanimidoylphenyl)benzoate
CID 142312095

Frequently Asked Questions

What is the IUPAC name of [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine?
The IUPAC name of [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine (CID 143933283) is [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine.
What is the SMILES notation for [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine?
The canonical SMILES for [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine is [H]/N=C/c1ccc(OPOc2ccc(/C=N/C)cc2)cc1.
What is the InChIKey of [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine?
The InChIKey is DWDCZVMAPGSQBG-OTYYAQKOSA-N. The full InChI is InChI=1S/C15H15N2O2P/c1-17-11-13-4-8-15(9-5-13)19-20-18-14-6-2-12(10-16)3-7-14/h2-11,16,20H,1H3/b16-10+,17-11+.
What are the key properties of [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine?
[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine has a molecular weight of 286.27 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine is sourced from PubChem (CID 143933283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).