2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium

C23H24Cl2NO2+ — CID 7418975

IUPAC2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OCc1ccccc1
InChIInChI=1S/C23H23Cl2NO2/c1-27-22-10-7-18(13-23(22)28-16-17-5-3-2-4-6-17)15-26-12-11-19-8-9-20(24)14-21(19)25/h2-10,13-14,26H,11-12,15-16H2,1H3/p+1
InChIKeyWURMGNTUKYIQEK-UHFFFAOYSA-O
MW417.36 g/mol
LogP4.89
Rot. Bonds9

About 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium

2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium (PubChem CID 7418975) has the molecular formula C23H24Cl2NO2+ and a molecular weight of 417.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium
PubChem CID7418975
Molecular FormulaC23H24Cl2NO2+
Molecular Weight417.36 g/mol
Exact Mass416.12
IUPAC Name2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OCc1ccccc1
InChIInChI=1S/C23H23Cl2NO2/c1-27-22-10-7-18(13-23(22)28-16-17-5-3-2-4-6-17)15-26-12-11-19-8-9-20(24)14-21(19)25/h2-10,13-14,26H,11-12,15-16H2,1H3/p+1
InChIKeyWURMGNTUKYIQEK-UHFFFAOYSA-O
XLogP4.89
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42701738
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 42701741
(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399
(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 7324300
[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2217310
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium
CID 2222652
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine
CID 66529232
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium (CID 7418975) is 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OCc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is WURMGNTUKYIQEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23Cl2NO2/c1-27-22-10-7-18(13-23(22)28-16-17-5-3-2-4-6-17)15-26-12-11-19-8-9-20(24)14-21(19)25/h2-10,13-14,26H,11-12,15-16H2,1H3/p+1.
What are the key properties of 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium?
2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium has a molecular weight of 417.36 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7418975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).