2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol

C22H32NOP — CID 71191937

IUPAC2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1ccccc1CNC)c1cc(C)cc(C)c1O
InChIInChI=1S/C22H32NOP/c1-6-12-22(7-2,19-14-16(3)13-17(4)21(19)24)25-20-11-9-8-10-18(20)15-23-5/h8-11,13-14,23-25H,6-7,12,15H2,1-5H3
InChIKeyNDNNRGLCGBCXDY-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.14
Rot. Bonds8

About 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol

2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol (PubChem CID 71191937) has the molecular formula C22H32NOP and a molecular weight of 357.48 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
PubChem CID71191937
Molecular FormulaC22H32NOP
Molecular Weight357.48 g/mol
Exact Mass357.22
IUPAC Name2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1ccccc1CNC)c1cc(C)cc(C)c1O
InChIInChI=1S/C22H32NOP/c1-6-12-22(7-2,19-14-16(3)13-17(4)21(19)24)25-20-11-9-8-10-18(20)15-23-5/h8-11,13-14,23-25H,6-7,12,15H2,1-5H3
InChIKeyNDNNRGLCGBCXDY-UHFFFAOYSA-N
XLogP5.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
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 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol?
The IUPAC name of 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol (CID 71191937) is 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol.
What is the SMILES notation for 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol?
The canonical SMILES for 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol is CCCC(CC)(Pc1ccccc1CNC)c1cc(C)cc(C)c1O.
What is the InChIKey of 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol?
The InChIKey is NDNNRGLCGBCXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NOP/c1-6-12-22(7-2,19-14-16(3)13-17(4)21(19)24)25-20-11-9-8-10-18(20)15-23-5/h8-11,13-14,23-25H,6-7,12,15H2,1-5H3.
What are the key properties of 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol?
2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol has a molecular weight of 357.48 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol is sourced from PubChem (CID 71191937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).