(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

C18H24NO3+ — CID 2163838

IUPAC(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2ccccc2OC)c(OC)c1
InChIInChI=1S/C18H23NO3/c1-20-16-9-8-15(18(12-16)22-3)13-19-11-10-14-6-4-5-7-17(14)21-2/h4-9,12,19H,10-11,13H2,1-3H3/p+1
InChIKeyYLQJXJDNEQOLME-UHFFFAOYSA-O
MW302.39 g/mol
LogP2.02
Rot. Bonds8

About (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 2163838) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID2163838
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2ccccc2OC)c(OC)c1
InChIInChI=1S/C18H23NO3/c1-20-16-9-8-15(18(12-16)22-3)13-19-11-10-14-6-4-5-7-17(14)21-2/h4-9,12,19H,10-11,13H2,1-3H3/p+1
InChIKeyYLQJXJDNEQOLME-UHFFFAOYSA-O
XLogP2.02
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
CID 2063765
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium (CID 2163838) is (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccc(C[NH2+]CCc2ccccc2OC)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is YLQJXJDNEQOLME-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO3/c1-20-16-9-8-15(18(12-16)22-3)13-19-11-10-14-6-4-5-7-17(14)21-2/h4-9,12,19H,10-11,13H2,1-3H3/p+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 2163838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).