2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C22H28N2O3 — CID 119128954

IUPAC2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCCc1cccc2c(CCNCc3cc(OC)c(OC)c(OC)c3)c[nH]c12
InChIInChI=1S/C22H28N2O3/c1-5-16-7-6-8-18-17(14-24-21(16)18)9-10-23-13-15-11-19(25-2)22(27-4)20(12-15)26-3/h6-8,11-12,14,23-24H,5,9-10,13H2,1-4H3
InChIKeyOGKSRSKRNWICAB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.09
Rot. Bonds9

About 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 119128954) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID119128954
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCCc1cccc2c(CCNCc3cc(OC)c(OC)c(OC)c3)c[nH]c12
InChIInChI=1S/C22H28N2O3/c1-5-16-7-6-8-18-17(14-24-21(16)18)9-10-23-13-15-11-19(25-2)22(27-4)20(12-15)26-3/h6-8,11-12,14,23-24H,5,9-10,13H2,1-4H3
InChIKeyOGKSRSKRNWICAB-UHFFFAOYSA-N
XLogP4.09
TPSA55.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 119128960
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 119106557
2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 119128941
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111807075
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 29226233
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295394
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine chloride
CID 53351006
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207350
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 4720848
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 119128954) is 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is CCc1cccc2c(CCNCc3cc(OC)c(OC)c(OC)c3)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is OGKSRSKRNWICAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-16-7-6-8-18-17(14-24-21(16)18)9-10-23-13-15-11-19(25-2)22(27-4)20(12-15)26-3/h6-8,11-12,14,23-24H,5,9-10,13H2,1-4H3.
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 368.48 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 119128954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).