1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine

C28H34NO2P — CID 71191593

IUPAC1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
SMILESCCCC(CC)(Pc1ccccc1/C=N\C)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C28H34NO2P/c1-5-18-28(6-2,32-27-15-11-10-14-23(27)20-29-3)25-19-24(30-4)16-17-26(25)31-21-22-12-8-7-9-13-22/h7-17,19-20,32H,5-6,18,21H2,1-4H3/b29-20-
InChIKeyHXRRLEUFGREDIG-BRPDVVIDSA-N
MW447.56 g/mol
LogP6.73
Rot. Bonds11

About 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine

1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine (PubChem CID 71191593) has the molecular formula C28H34NO2P and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
PubChem CID71191593
Molecular FormulaC28H34NO2P
Molecular Weight447.56 g/mol
Exact Mass447.23
IUPAC Name1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
SMILESCCCC(CC)(Pc1ccccc1/C=N\C)c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C28H34NO2P/c1-5-18-28(6-2,32-27-15-11-10-14-23(27)20-29-3)25-19-24(30-4)16-17-26(25)31-21-22-12-8-7-9-13-22/h7-17,19-20,32H,5-6,18,21H2,1-4H3/b29-20-
InChIKeyHXRRLEUFGREDIG-BRPDVVIDSA-N
XLogP6.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(3,5-dimethoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]ethanone
CID 71191558
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-5-methylphenyl]ethanol
CID 71039825
2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
CID 88987793
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834
1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 70807359
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
(E)-1-[2-[3-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]hexan-3-ylphosphanyl]phenyl]-N-pyrrol-1-ylmethanimine
CID 89356720
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
1-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(3,5-ditert-butyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;N-methyl-1-[2-(5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]methanimine
CID 159625807
2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969127
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine?
The IUPAC name of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine (CID 71191593) is 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine?
The canonical SMILES for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine is CCCC(CC)(Pc1ccccc1/C=N\C)c1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine?
The InChIKey is HXRRLEUFGREDIG-BRPDVVIDSA-N. The full InChI is InChI=1S/C28H34NO2P/c1-5-18-28(6-2,32-27-15-11-10-14-23(27)20-29-3)25-19-24(30-4)16-17-26(25)31-21-22-12-8-7-9-13-22/h7-17,19-20,32H,5-6,18,21H2,1-4H3/b29-20-.
What are the key properties of 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine?
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine has a molecular weight of 447.56 g/mol, XLogP of 6.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine is sourced from PubChem (CID 71191593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).