2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol

C24H36NOP — CID 70807504

IUPAC2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol
SMILESCCC(Pc1c(C)cccc1CN(C(C)C)C(C)C)c1cc(C)ccc1O
InChIInChI=1S/C24H36NOP/c1-8-23(21-14-18(6)12-13-22(21)26)27-24-19(7)10-9-11-20(24)15-25(16(2)3)17(4)5/h9-14,16-17,23,26-27H,8,15H2,1-7H3
InChIKeyVPXAXSBHIQIQLN-UHFFFAOYSA-N
MW385.53 g/mol
LogP6.08
Rot. Bonds8

About 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol

2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol (PubChem CID 70807504) has the molecular formula C24H36NOP and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol
PubChem CID70807504
Molecular FormulaC24H36NOP
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC Name2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol
SMILESCCC(Pc1c(C)cccc1CN(C(C)C)C(C)C)c1cc(C)ccc1O
InChIInChI=1S/C24H36NOP/c1-8-23(21-14-18(6)12-13-22(21)26)27-24-19(7)10-9-11-20(24)15-25(16(2)3)17(4)5/h9-14,16-17,23,26-27H,8,15H2,1-7H3
InChIKeyVPXAXSBHIQIQLN-UHFFFAOYSA-N
XLogP6.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol?
The IUPAC name of 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol (CID 70807504) is 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol?
The canonical SMILES for 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol is CCC(Pc1c(C)cccc1CN(C(C)C)C(C)C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol?
The InChIKey is VPXAXSBHIQIQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36NOP/c1-8-23(21-14-18(6)12-13-22(21)26)27-24-19(7)10-9-11-20(24)15-25(16(2)3)17(4)5/h9-14,16-17,23,26-27H,8,15H2,1-7H3.
What are the key properties of 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol?
2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol has a molecular weight of 385.53 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[di(propan-2-yl)amino]methyl]-6-methylphenyl]phosphanylpropyl]-4-methylphenol is sourced from PubChem (CID 70807504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).