[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium

C34H33NO3P+ — CID 102120560

IUPAC[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium
SMILESCOc1ccc(CN(c2ccc(OC)cc2OC)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33NO3P/c1-36-28-21-19-27(20-22-28)26-35(33-24-23-29(37-2)25-34(33)38-3)39(30-13-7-4-8-14-30,31-15-9-5-10-16-31)32-17-11-6-12-18-32/h4-25H,26H2,1-3H3/q+1
InChIKeyUNTDYWOGDZZUEQ-UHFFFAOYSA-N
MW534.62 g/mol
LogP6.63
Rot. Bonds10

About [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium

[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium (PubChem CID 102120560) has the molecular formula C34H33NO3P+ and a molecular weight of 534.62 g/mol. Its IUPAC name is [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium.

Molecular Properties

Compound Name[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium
PubChem CID102120560
Molecular FormulaC34H33NO3P+
Molecular Weight534.62 g/mol
Exact Mass534.22
IUPAC Name[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium
SMILESCOc1ccc(CN(c2ccc(OC)cc2OC)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33NO3P/c1-36-28-21-19-27(20-22-28)26-35(33-24-23-29(37-2)25-34(33)38-3)39(30-13-7-4-8-14-30,31-15-9-5-10-16-31)32-17-11-6-12-18-32/h4-25H,26H2,1-3H3/q+1
InChIKeyUNTDYWOGDZZUEQ-UHFFFAOYSA-N
XLogP6.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
CID 100953226
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
benzyl N'-(2,4-dimethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate;hydrobromide
CID 17256304
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium?
The IUPAC name of [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium (CID 102120560) is [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium.
What is the SMILES notation for [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium?
The canonical SMILES for [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium is COc1ccc(CN(c2ccc(OC)cc2OC)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium?
The InChIKey is UNTDYWOGDZZUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO3P/c1-36-28-21-19-27(20-22-28)26-35(33-24-23-29(37-2)25-34(33)38-3)39(30-13-7-4-8-14-30,31-15-9-5-10-16-31)32-17-11-6-12-18-32/h4-25H,26H2,1-3H3/q+1.
What are the key properties of [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium?
[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium has a molecular weight of 534.62 g/mol, XLogP of 6.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium is sourced from PubChem (CID 102120560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).