1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine

C32H42NOP — CID 70807359

IUPAC1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
SMILESCCCC(C)(Pc1ccc(C)cc1/C=N\C)c1cc(C(C)(C)C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C32H42NOP/c1-9-17-32(7,35-29-16-15-23(2)18-26(29)21-33-8)28-20-27(31(4,5)6)19-24(3)30(28)34-22-25-13-11-10-12-14-25/h10-16,18-21,35H,9,17,22H2,1-8H3/b33-21-
InChIKeyRBBPMAMVFPOKCZ-HWIUFGAZSA-N
MW487.67 g/mol
LogP8.25
Rot. Bonds9

About 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine

1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine (PubChem CID 70807359) has the molecular formula C32H42NOP and a molecular weight of 487.67 g/mol. Its IUPAC name is 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
PubChem CID70807359
Molecular FormulaC32H42NOP
Molecular Weight487.67 g/mol
Exact Mass487.30
IUPAC Name1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
SMILESCCCC(C)(Pc1ccc(C)cc1/C=N\C)c1cc(C(C)(C)C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C32H42NOP/c1-9-17-32(7,35-29-16-15-23(2)18-26(29)21-33-8)28-20-27(31(4,5)6)19-24(3)30(28)34-22-25-13-11-10-12-14-25/h10-16,18-21,35H,9,17,22H2,1-8H3/b33-21-
InChIKeyRBBPMAMVFPOKCZ-HWIUFGAZSA-N
XLogP8.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 58.25
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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Related Compounds

2-[2-(3,5-ditert-butyl-2-phenylmethoxyphenyl)hexan-2-ylphosphanyl]-5-methylbenzaldehyde
CID 88968940
2-[3-(3,5-ditert-butyl-2-phenylmethoxyphenyl)octan-3-ylphosphanyl]-5-methylbenzaldehyde
CID 89356249
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
CID 71191686
1-[2-[2-[3-benzyl-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214594
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-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874
1-[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]ethanol
CID 71191865
3-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)heptan-3-yl-methylphosphane
CID 71040219
4-tert-butyl-2-methyl-6-[3-[4-methyl-2-(methyliminomethyl)phenyl]phosphanyloctan-3-yl]phenol
CID 71191539
1-[2-[3-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]-N-phenylmethanimine
CID 71039995
1-[2-[3-(3,5-ditert-butyl-2-phenylmethoxyphenyl)octan-3-ylphosphanyl]-5-methylphenyl]ethanone
CID 71191512
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
The IUPAC name of 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine (CID 70807359) is 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
The canonical SMILES for 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine is CCCC(C)(Pc1ccc(C)cc1/C=N\C)c1cc(C(C)(C)C)cc(C)c1OCc1ccccc1.
What is the InChIKey of 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
The InChIKey is RBBPMAMVFPOKCZ-HWIUFGAZSA-N. The full InChI is InChI=1S/C32H42NOP/c1-9-17-32(7,35-29-16-15-23(2)18-26(29)21-33-8)28-20-27(31(4,5)6)19-24(3)30(28)34-22-25-13-11-10-12-14-25/h10-16,18-21,35H,9,17,22H2,1-8H3/b33-21-.
What are the key properties of 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine has a molecular weight of 487.67 g/mol, XLogP of 8.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine is sourced from PubChem (CID 70807359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).