2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol

C20H28NOP — CID 71039961

IUPAC2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol
SMILESCCC(C)(Pc1ccccc1CNC)c1cc(C)cc(C)c1O
InChIInChI=1S/C20H28NOP/c1-6-20(4,17-12-14(2)11-15(3)19(17)22)23-18-10-8-7-9-16(18)13-21-5/h7-12,21-23H,6,13H2,1-5H3
InChIKeyWOSRYEUNIJIWNS-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.36
Rot. Bonds6

About 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol

2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol (PubChem CID 71039961) has the molecular formula C20H28NOP and a molecular weight of 329.42 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol
PubChem CID71039961
Molecular FormulaC20H28NOP
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol
SMILESCCC(C)(Pc1ccccc1CNC)c1cc(C)cc(C)c1O
InChIInChI=1S/C20H28NOP/c1-6-20(4,17-12-14(2)11-15(3)19(17)22)23-18-10-8-7-9-16(18)13-21-5/h7-12,21-23H,6,13H2,1-5H3
InChIKeyWOSRYEUNIJIWNS-UHFFFAOYSA-N
XLogP4.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.36
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

2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191937
2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol
CID 71040213
2-benzyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylpropan-2-yl]phenol
CID 71040106
2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
CID 71191673
2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
CID 88969227
4-tert-butyl-2-methyl-6-[2-(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]phenol
CID 89214517
2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 70822632
4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 70807329
2-[(2S)-2-aminobutan-2-yl]-4,6-dimethylphenol
CID 130666373
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
CID 71039887
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol?
The IUPAC name of 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol (CID 71039961) is 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol.
What is the SMILES notation for 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol?
The canonical SMILES for 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol is CCC(C)(Pc1ccccc1CNC)c1cc(C)cc(C)c1O.
What is the InChIKey of 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol?
The InChIKey is WOSRYEUNIJIWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NOP/c1-6-20(4,17-12-14(2)11-15(3)19(17)22)23-18-10-8-7-9-16(18)13-21-5/h7-12,21-23H,6,13H2,1-5H3.
What are the key properties of 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol?
2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol has a molecular weight of 329.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-[2-(methylaminomethyl)phenyl]phosphanylbutan-2-yl]phenol is sourced from PubChem (CID 71039961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).