1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine

C31H40NO2P — CID 89356303

IUPAC1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
SMILESCCCC(CC)(Pc1c(C)cccc1/C(C)=N\c1ccccc1)c1cc(C)cc(C)c1OCOC
InChIInChI=1S/C31H40NO2P/c1-8-18-31(9-2,28-20-22(3)19-24(5)29(28)34-21-33-7)35-30-23(4)14-13-17-27(30)25(6)32-26-15-11-10-12-16-26/h10-17,19-20,35H,8-9,18,21H2,1-7H3/b32-25-
InChIKeyZPWQOCJJLYSAEZ-MKCFTUBBSA-N
MW489.64 g/mol
LogP8.14
Rot. Bonds11

About 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine

1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine (PubChem CID 89356303) has the molecular formula C31H40NO2P and a molecular weight of 489.64 g/mol. Its IUPAC name is 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine.

Molecular Properties

Compound Name1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
PubChem CID89356303
Molecular FormulaC31H40NO2P
Molecular Weight489.64 g/mol
Exact Mass489.28
IUPAC Name1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
SMILESCCCC(CC)(Pc1c(C)cccc1/C(C)=N\c1ccccc1)c1cc(C)cc(C)c1OCOC
InChIInChI=1S/C31H40NO2P/c1-8-18-31(9-2,28-20-22(3)19-24(5)29(28)34-21-33-7)35-30-23(4)14-13-17-27(30)25(6)32-26-15-11-10-12-16-26/h10-17,19-20,35H,8-9,18,21H2,1-7H3/b32-25-
InChIKeyZPWQOCJJLYSAEZ-MKCFTUBBSA-N
XLogP8.14
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356451
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 88969336
[2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356670
[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356515
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
(E)-1-[2-[3-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]hexan-3-ylphosphanyl]phenyl]-N-pyrrol-1-ylmethanimine
CID 89356720
N-[[2-[3-[3-benzyl-2-(methoxymethoxy)phenyl]pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 89214378
[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
CID 88969386
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]-N-methyl-1-phenylmethanimine
CID 88968917
3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]heptan-3-yl-(2-fluorophenyl)phosphane
CID 89214520
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874
1-[2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]-5-methylphenyl]ethanone
CID 89356463

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine?
The IUPAC name of 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine (CID 89356303) is 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine.
What is the SMILES notation for 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine?
The canonical SMILES for 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine is CCCC(CC)(Pc1c(C)cccc1/C(C)=N\c1ccccc1)c1cc(C)cc(C)c1OCOC.
What is the InChIKey of 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine?
The InChIKey is ZPWQOCJJLYSAEZ-MKCFTUBBSA-N. The full InChI is InChI=1S/C31H40NO2P/c1-8-18-31(9-2,28-20-22(3)19-24(5)29(28)34-21-33-7)35-30-23(4)14-13-17-27(30)25(6)32-26-15-11-10-12-16-26/h10-17,19-20,35H,8-9,18,21H2,1-7H3/b32-25-.
What are the key properties of 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine?
1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine has a molecular weight of 489.64 g/mol, XLogP of 8.14, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine is sourced from PubChem (CID 89356303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).