4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol

C30H40NOP — CID 71039808

IUPAC4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol
SMILESCCCC(C)(Pc1ccc(C)cc1CNC(C)(C)C)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C30H40NOP/c1-7-17-30(6,33-28-16-13-22(2)18-25(28)21-31-29(3,4)5)26-20-24(14-15-27(26)32)19-23-11-9-8-10-12-23/h8-16,18,20,31-33H,7,17,19,21H2,1-6H3
InChIKeyRUAOGOIJXVGMHX-UHFFFAOYSA-N
MW461.63 g/mol
LogP7.20
Rot. Bonds9

About 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol

4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol (PubChem CID 71039808) has the molecular formula C30H40NOP and a molecular weight of 461.63 g/mol. Its IUPAC name is 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol.

Molecular Properties

Compound Name4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol
PubChem CID71039808
Molecular FormulaC30H40NOP
Molecular Weight461.63 g/mol
Exact Mass461.28
IUPAC Name4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol
SMILESCCCC(C)(Pc1ccc(C)cc1CNC(C)(C)C)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C30H40NOP/c1-7-17-30(6,33-28-16-13-22(2)18-25(28)21-31-29(3,4)5)26-20-24(14-15-27(26)32)19-23-11-9-8-10-12-23/h8-16,18,20,31-33H,7,17,19,21H2,1-6H3
InChIKeyRUAOGOIJXVGMHX-UHFFFAOYSA-N
XLogP7.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.63
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
CID 71191673
4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
CID 71191577
1-[2-[2-[5-benzyl-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-5-methylphenyl]ethanone
CID 89214655
4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride
CID 159854033
4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 70807329
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
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
CID 71191686
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
2-[3-[2-(anilinomethyl)-4-methylphenyl]phosphanyloctan-3-yl]-4,6-ditert-butylphenol
CID 89356307
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone
CID 70807483

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol?
The IUPAC name of 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol (CID 71039808) is 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol.
What is the SMILES notation for 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol?
The canonical SMILES for 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol is CCCC(C)(Pc1ccc(C)cc1CNC(C)(C)C)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol?
The InChIKey is RUAOGOIJXVGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40NOP/c1-7-17-30(6,33-28-16-13-22(2)18-25(28)21-31-29(3,4)5)26-20-24(14-15-27(26)32)19-23-11-9-8-10-12-23/h8-16,18,20,31-33H,7,17,19,21H2,1-6H3.
What are the key properties of 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol?
4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol has a molecular weight of 461.63 g/mol, XLogP of 7.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol is sourced from PubChem (CID 71039808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).