2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium

C19H23N2O2+ — CID 149136552

IUPAC2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium
SMILESCOc1cccc(OCCn2cc(CC[NH3+])c3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-22-16-5-4-6-17(13-16)23-12-11-21-14-15(9-10-20)18-7-2-3-8-19(18)21/h2-8,13-14H,9-12,20H2,1H3/p+1
InChIKeyRFQTZVDRNPJMEK-UHFFFAOYSA-O
MW311.41 g/mol
LogP2.51
Rot. Bonds7

About 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium

2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium (PubChem CID 149136552) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium.

Molecular Properties

Compound Name2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium
PubChem CID149136552
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium
SMILESCOc1cccc(OCCn2cc(CC[NH3+])c3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-22-16-5-4-6-17(13-16)23-12-11-21-14-15(9-10-20)18-7-2-3-8-19(18)21/h2-8,13-14H,9-12,20H2,1H3/p+1
InChIKeyRFQTZVDRNPJMEK-UHFFFAOYSA-O
XLogP2.51
TPSA51.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
1-[2-(3,4-dimethoxy-5-methylphenoxy)ethyl]-3-propylindole
CID 122425292
2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967190
(5E)-5-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352124
(4E)-4-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 56688651
[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
CID 66399919
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium?
The IUPAC name of 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium (CID 149136552) is 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium.
What is the SMILES notation for 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium?
The canonical SMILES for 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium is COc1cccc(OCCn2cc(CC[NH3+])c3ccccc32)c1.
What is the InChIKey of 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium?
The InChIKey is RFQTZVDRNPJMEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-22-16-5-4-6-17(13-16)23-12-11-21-14-15(9-10-20)18-7-2-3-8-19(18)21/h2-8,13-14H,9-12,20H2,1H3/p+1.
What are the key properties of 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium?
2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium has a molecular weight of 311.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium is sourced from PubChem (CID 149136552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).