2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium

C21H25N2O2+ — CID 7248572

IUPAC2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C21H24N2O2/c1-3-12-25-20-9-8-16(13-21(20)24-2)14-22-11-10-17-15-23-19-7-5-4-6-18(17)19/h3-9,13,15,22-23H,1,10-12,14H2,2H3/p+1
InChIKeyJFONKZGXQXKZSN-UHFFFAOYSA-O
MW337.44 g/mol
LogP3.05
Rot. Bonds9

About 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium

2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium (PubChem CID 7248572) has the molecular formula C21H25N2O2+ and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium
PubChem CID7248572
Molecular FormulaC21H25N2O2+
Molecular Weight337.44 g/mol
Exact Mass337.19
IUPAC Name2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C21H24N2O2/c1-3-12-25-20-9-8-16(13-21(20)24-2)14-22-11-10-17-15-23-19-7-5-4-6-18(17)19/h3-9,13,15,22-23H,1,10-12,14H2,2H3/p+1
InChIKeyJFONKZGXQXKZSN-UHFFFAOYSA-O
XLogP3.05
TPSA50.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295573
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 53494675
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
2-(1H-indol-3-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294280
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
(3,4-dimethoxyphenyl)methyl-prop-2-enylazanium
CID 2197774

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium?
The IUPAC name of 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium (CID 7248572) is 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium is C=CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium?
The InChIKey is JFONKZGXQXKZSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N2O2/c1-3-12-25-20-9-8-16(13-21(20)24-2)14-22-11-10-17-15-23-19-7-5-4-6-18(17)19/h3-9,13,15,22-23H,1,10-12,14H2,2H3/p+1.
What are the key properties of 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium?
2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium has a molecular weight of 337.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium is sourced from PubChem (CID 7248572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).