2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol

C24H28NOP — CID 71040106

IUPAC2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol
SMILESCNCc1ccccc1PC(C)(C)c1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C24H28NOP/c1-24(2,27-22-15-8-7-12-20(22)17-25-3)21-14-9-13-19(23(21)26)16-18-10-5-4-6-11-18/h4-15,25-27H,16-17H2,1-3H3
InChIKeyZQOGQBAZSFJTIK-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.94
Rot. Bonds7

About 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol

2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol (PubChem CID 71040106) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol.

Molecular Properties

Compound Name2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol
PubChem CID71040106
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC Name2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol
SMILESCNCc1ccccc1PC(C)(C)c1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C24H28NOP/c1-24(2,27-22-15-8-7-12-20(22)17-25-3)21-14-9-13-19(23(21)26)16-18-10-5-4-6-11-18/h4-15,25-27H,16-17H2,1-3H3
InChIKeyZQOGQBAZSFJTIK-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.94
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-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol
CID 71039961
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553
3-benzyl-2-tert-butylphenol
CID 154096643
2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191937
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
CID 129364050
2-benzylphenol;ethane
CID 91068983
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
CID 71040119

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol?
The IUPAC name of 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol (CID 71040106) is 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol.
What is the SMILES notation for 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol?
The canonical SMILES for 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol is CNCc1ccccc1PC(C)(C)c1cccc(Cc2ccccc2)c1O.
What is the InChIKey of 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol?
The InChIKey is ZQOGQBAZSFJTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOP/c1-24(2,27-22-15-8-7-12-20(22)17-25-3)21-14-9-13-19(23(21)26)16-18-10-5-4-6-11-18/h4-15,25-27H,16-17H2,1-3H3.
What are the key properties of 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol?
2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol has a molecular weight of 377.47 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol is sourced from PubChem (CID 71040106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).