2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol

C28H36NOP — CID 71040177

IUPAC2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
SMILESCCC(C)(Pc1c(C)cccc1CNC(C)(C)C)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C28H36NOP/c1-7-28(6,24-18-12-17-23(25(24)30)21-14-9-8-10-15-21)31-26-20(2)13-11-16-22(26)19-29-27(3,4)5/h8-18,29-31H,7,19H2,1-6H3
InChIKeyZYMJZSKSQLIZSX-UHFFFAOYSA-N
MW433.58 g/mol
LogP6.88
Rot. Bonds7

About 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol

2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol (PubChem CID 71040177) has the molecular formula C28H36NOP and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol.

Molecular Properties

Compound Name2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
PubChem CID71040177
Molecular FormulaC28H36NOP
Molecular Weight433.58 g/mol
Exact Mass433.25
IUPAC Name2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
SMILESCCC(C)(Pc1c(C)cccc1CNC(C)(C)C)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C28H36NOP/c1-7-28(6,24-18-12-17-23(25(24)30)21-14-9-8-10-15-21)31-26-20(2)13-11-16-22(26)19-29-27(3,4)5/h8-18,29-31H,7,19H2,1-6H3
InChIKeyZYMJZSKSQLIZSX-UHFFFAOYSA-N
XLogP6.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol 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-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553
N-[[2-[3-[3-benzyl-2-(methoxymethoxy)phenyl]pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 89214378
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
CID 71039959
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
CID 89214353
2-methyl-6-phenylphenol
CID 12592481
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
CID 88969227
2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol
CID 71040213
2,4-ditert-butyl-6-[2-[2-methyl-6-[(propan-2-ylamino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88969322
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
CID 140963589
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol?
The IUPAC name of 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol (CID 71040177) is 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol.
What is the SMILES notation for 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol?
The canonical SMILES for 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol is CCC(C)(Pc1c(C)cccc1CNC(C)(C)C)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol?
The InChIKey is ZYMJZSKSQLIZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36NOP/c1-7-28(6,24-18-12-17-23(25(24)30)21-14-9-8-10-15-21)31-26-20(2)13-11-16-22(26)19-29-27(3,4)5/h8-18,29-31H,7,19H2,1-6H3.
What are the key properties of 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol?
2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol has a molecular weight of 433.58 g/mol, XLogP of 6.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol is sourced from PubChem (CID 71040177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).