3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium

C12H21NO3P+ — CID 102579914

IUPAC3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium
SMILESCOc1cc(OC)c(PCCC[NH3+])c(OC)c1
InChIInChI=1S/C12H20NO3P/c1-14-9-7-10(15-2)12(11(8-9)16-3)17-6-4-5-13/h7-8,17H,4-6,13H2,1-3H3/p+1
InChIKeySJIBIKYLZVDOAJ-UHFFFAOYSA-O
MW258.28 g/mol
LogP0.65
Rot. Bonds7

About 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium

3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium (PubChem CID 102579914) has the molecular formula C12H21NO3P+ and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium.

Molecular Properties

Compound Name3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium
PubChem CID102579914
Molecular FormulaC12H21NO3P+
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium
SMILESCOc1cc(OC)c(PCCC[NH3+])c(OC)c1
InChIInChI=1S/C12H20NO3P/c1-14-9-7-10(15-2)12(11(8-9)16-3)17-6-4-5-13/h7-8,17H,4-6,13H2,1-3H3/p+1
InChIKeySJIBIKYLZVDOAJ-UHFFFAOYSA-O
XLogP0.65
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloro-(2,4,6-trimethoxyphenyl)phosphane
CID 151134110
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
1,3,5-trimethoxy-2-[2-(2,4,6-trimethoxyphenyl)ethynyl]benzene
CID 4255842
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
2-(2,4,6-trimethoxyanilino)ethanethiol
CID 115223691
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
2-(5-bromopentyl)-1,3,5-trimethoxybenzene
CID 56956628
2-(2,4,6-trimethoxyanilino)acetaldehyde
CID 115222665
3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
CID 54403978
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium?
The IUPAC name of 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium (CID 102579914) is 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium.
What is the SMILES notation for 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium?
The canonical SMILES for 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium is COc1cc(OC)c(PCCC[NH3+])c(OC)c1.
What is the InChIKey of 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium?
The InChIKey is SJIBIKYLZVDOAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20NO3P/c1-14-9-7-10(15-2)12(11(8-9)16-3)17-6-4-5-13/h7-8,17H,4-6,13H2,1-3H3/p+1.
What are the key properties of 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium?
3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium has a molecular weight of 258.28 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethoxyphenyl)phosphanylpropylazanium is sourced from PubChem (CID 102579914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).