ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium

C18H27N2O2+ — CID 7112673

IUPACethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
SMILESCC[NH+](CCOC)Cc1cccn1Cc1cccc(OC)c1
InChIInChI=1S/C18H26N2O2/c1-4-19(11-12-21-2)15-17-8-6-10-20(17)14-16-7-5-9-18(13-16)22-3/h5-10,13H,4,11-12,14-15H2,1-3H3/p+1
InChIKeyBYOYGWIHMPNLCG-UHFFFAOYSA-O
MW303.43 g/mol
LogP1.60
Rot. Bonds9

About ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium

ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium (PubChem CID 7112673) has the molecular formula C18H27N2O2+ and a molecular weight of 303.43 g/mol. Its IUPAC name is ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium.

Molecular Properties

Compound Nameethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
PubChem CID7112673
Molecular FormulaC18H27N2O2+
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC Nameethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
SMILESCC[NH+](CCOC)Cc1cccn1Cc1cccc(OC)c1
InChIInChI=1S/C18H26N2O2/c1-4-19(11-12-21-2)15-17-8-6-10-20(17)14-16-7-5-9-18(13-16)22-3/h5-10,13H,4,11-12,14-15H2,1-3H3/p+1
InChIKeyBYOYGWIHMPNLCG-UHFFFAOYSA-O
XLogP1.60
TPSA27.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-hydroxyhex-5-enyl]-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7415803
2-methoxyethyl-[(4-methoxyphenyl)methyl]-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7439348
[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(3-methoxyphenyl)methyl]-(3-methoxypropyl)azanium
CID 7415019
[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium
CID 7297185
3-methoxypropyl-[(3-methylphenyl)methyl]-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7207635
[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium
CID 7398232
[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxybutyl]-(3-methoxypropyl)azanium
CID 7399893
(3-methoxycarbonylphenyl)methyl-(2-methoxyethyl)-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7418748
(2-methoxy-2-oxoethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7493137
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(2-methylpropyl)azanium
CID 7237069
cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7262232

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The IUPAC name of ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium (CID 7112673) is ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium.
What is the SMILES notation for ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The canonical SMILES for ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium is CC[NH+](CCOC)Cc1cccn1Cc1cccc(OC)c1.
What is the InChIKey of ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The InChIKey is BYOYGWIHMPNLCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N2O2/c1-4-19(11-12-21-2)15-17-8-6-10-20(17)14-16-7-5-9-18(13-16)22-3/h5-10,13H,4,11-12,14-15H2,1-3H3/p+1.
What are the key properties of ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?
ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium has a molecular weight of 303.43 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium is sourced from PubChem (CID 7112673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).