2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol

C34H48NOP — CID 89214353

IUPAC2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
SMILESCCC(C)(Pc1c(C)cccc1CN(C)Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H48NOP/c1-11-34(9,29-21-27(32(3,4)5)20-28(30(29)36)33(6,7)8)37-31-24(2)16-15-19-26(31)23-35(10)22-25-17-13-12-14-18-25/h12-21,36-37H,11,22-23H2,1-10H3
InChIKeyDOCUZKFXTRBOCM-UHFFFAOYSA-N
MW517.74 g/mol
LogP8.56
Rot. Bonds8

About 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol

2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol (PubChem CID 89214353) has the molecular formula C34H48NOP and a molecular weight of 517.74 g/mol. Its IUPAC name is 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
PubChem CID89214353
Molecular FormulaC34H48NOP
Molecular Weight517.74 g/mol
Exact Mass517.35
IUPAC Name2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
SMILESCCC(C)(Pc1c(C)cccc1CN(C)Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H48NOP/c1-11-34(9,29-21-27(32(3,4)5)20-28(30(29)36)33(6,7)8)37-31-24(2)16-15-19-26(31)23-35(10)22-25-17-13-12-14-18-25/h12-21,36-37H,11,22-23H2,1-10H3
InChIKeyDOCUZKFXTRBOCM-UHFFFAOYSA-N
XLogP8.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.74
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol
CID 89356376
2-tert-butyl-6-[3-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-3-yl]-4-methylphenol
CID 88969217
2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4-tert-butyl-6-methylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-6-tert-butyl-4-methylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4,6-ditert-butylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4,6-dimethylphenol;2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-6-methylphenol;2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylphenol
CID 158849320
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553
2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
CID 88969227
N-benzyl-N-[[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040157
2,4-ditert-butyl-6-[2-[2-methyl-6-[(propan-2-ylamino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88969322
2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
CID 71040177
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
CID 71039959
4-tert-butyl-2-methyl-6-[2-(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]phenol
CID 89214517
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol
CID 71040213

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol (CID 89214353) is 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol is CCC(C)(Pc1c(C)cccc1CN(C)Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
The InChIKey is DOCUZKFXTRBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48NOP/c1-11-34(9,29-21-27(32(3,4)5)20-28(30(29)36)33(6,7)8)37-31-24(2)16-15-19-26(31)23-35(10)22-25-17-13-12-14-18-25/h12-21,36-37H,11,22-23H2,1-10H3.
What are the key properties of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol has a molecular weight of 517.74 g/mol, XLogP of 8.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol is sourced from PubChem (CID 89214353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).