2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

C24H31N2O2+ — CID 7439348

IUPAC2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
SMILESCOCC[NH+](Cc1ccc(OC)cc1)Cc1cccn1Cc1ccc(C)cc1
InChIInChI=1S/C24H30N2O2/c1-20-6-8-22(9-7-20)18-26-14-4-5-23(26)19-25(15-16-27-2)17-21-10-12-24(28-3)13-11-21/h4-14H,15-19H2,1-3H3/p+1
InChIKeyZPRNLHDTQZGNQT-UHFFFAOYSA-O
MW379.52 g/mol
LogP3.08
Rot. Bonds10

About 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium (PubChem CID 7439348) has the molecular formula C24H31N2O2+ and a molecular weight of 379.52 g/mol. Its IUPAC name is 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
PubChem CID7439348
Molecular FormulaC24H31N2O2+
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
SMILESCOCC[NH+](Cc1ccc(OC)cc1)Cc1cccn1Cc1ccc(C)cc1
InChIInChI=1S/C24H30N2O2/c1-20-6-8-22(9-7-20)18-26-14-4-5-23(26)19-25(15-16-27-2)17-21-10-12-24(28-3)13-11-21/h4-14H,15-19H2,1-3H3/p+1
InChIKeyZPRNLHDTQZGNQT-UHFFFAOYSA-O
XLogP3.08
TPSA27.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-[(1-benzylpyrrol-2-yl)methyl]-(3-methoxypropyl)azanium
CID 7327700
ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7112673
3-methoxypropyl-[(3-methylphenyl)methyl]-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7207635
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42663070
(3-methoxycarbonylphenyl)methyl-(2-methoxyethyl)-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7418748
2,4-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3455351
(3-cyanophenyl)methyl-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7415014
[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methoxyethyl)azanium
CID 7356076
[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(3-methoxyphenyl)methyl]-(3-methoxypropyl)azanium
CID 7415019
[(2R)-2-hydroxyhex-5-enyl]-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7415803
[(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7218498
N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 42795108

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The IUPAC name of 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium (CID 7439348) is 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The canonical SMILES for 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium is COCC[NH+](Cc1ccc(OC)cc1)Cc1cccn1Cc1ccc(C)cc1.
What is the InChIKey of 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The InChIKey is ZPRNLHDTQZGNQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N2O2/c1-20-6-8-22(9-7-20)18-26-14-4-5-23(26)19-25(15-16-27-2)17-21-10-12-24(28-3)13-11-21/h4-14H,15-19H2,1-3H3/p+1.
What are the key properties of 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium has a molecular weight of 379.52 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium is sourced from PubChem (CID 7439348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).