(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium

C19H23N2O2+ — CID 2055772

IUPAC(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
SMILESCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H22N2O2/c1-22-16-9-14(10-17(11-16)23-2)12-20-8-7-15-13-21-19-6-4-3-5-18(15)19/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3/p+1
InChIKeyGZNLWQYOQRHZNH-UHFFFAOYSA-O
MW311.41 g/mol
LogP2.49
Rot. Bonds7

About (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium

(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium (PubChem CID 2055772) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
PubChem CID2055772
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
SMILESCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H22N2O2/c1-22-16-9-14(10-17(11-16)23-2)12-20-8-7-15-13-21-19-6-4-3-5-18(15)19/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3/p+1
InChIKeyGZNLWQYOQRHZNH-UHFFFAOYSA-O
XLogP2.49
TPSA50.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7248572
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
CID 44664324
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
2-(3-methoxyphenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171051
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium?
The IUPAC name of (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium (CID 2055772) is (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium is COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium?
The InChIKey is GZNLWQYOQRHZNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-22-16-9-14(10-17(11-16)23-2)12-20-8-7-15-13-21-19-6-4-3-5-18(15)19/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3/p+1.
What are the key properties of (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium?
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium has a molecular weight of 311.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 2055772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).