(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium

C26H25NOP+ — CID 10227540

IUPAC(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
SMILESCOc1cccc(N)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NOP/c1-28-26-19-11-18-25(27)24(26)20-29(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-19H,20,27H2,1H3/q+1
InChIKeyIOPMGSHDGBSPRO-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.77
Rot. Bonds6

About (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium

(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium (PubChem CID 10227540) has the molecular formula C26H25NOP+ and a molecular weight of 398.47 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
PubChem CID10227540
Molecular FormulaC26H25NOP+
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
SMILESCOc1cccc(N)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NOP/c1-28-26-19-11-18-25(27)24(26)20-29(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-19H,20,27H2,1H3/q+1
InChIKeyIOPMGSHDGBSPRO-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-fluorophenyl)methyl-triphenylphosphanium
CID 18786099
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
3-methoxy-2-propylaniline
CID 70555018
(2,6-dichloro-3-methoxyphenyl)methyl-triphenylphosphanium
CID 87899067
2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
CID 57308610
(6-bromo-2-hydroxy-3-methoxyphenyl)methyl-triphenylphosphanium
CID 86655560
2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline
CID 163951770
(2-chloro-4-methoxy-3,6-dimethylphenyl)methyl-triphenylphosphanium
CID 86735157
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
2-methoxyaniline;dihydrochloride
CID 69020746
(2,6-dibromo-4-methoxy-3-methylphenyl)methyl-triphenylphosphanium chloride
CID 88763718

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium?
The IUPAC name of (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium (CID 10227540) is (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium is COc1cccc(N)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium?
The InChIKey is IOPMGSHDGBSPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NOP/c1-28-26-19-11-18-25(27)24(26)20-29(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-19H,20,27H2,1H3/q+1.
What are the key properties of (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium?
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium has a molecular weight of 398.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 10227540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).