2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine

C18H20N2O — CID 75465017

IUPAC2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
SMILESCCOc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1
InChIInChI=1S/C18H20N2O/c1-2-21-16-6-3-13(4-7-16)14-5-8-18-17(11-14)15(9-10-19)12-20-18/h3-8,11-12,20H,2,9-10,19H2,1H3
InChIKeyFQONUXZYRLTYDX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds5

About 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine

2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine (PubChem CID 75465017) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
PubChem CID75465017
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
SMILESCCOc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1
InChIInChI=1S/C18H20N2O/c1-2-21-16-6-3-13(4-7-16)14-5-8-18-17(11-14)15(9-10-19)12-20-18/h3-8,11-12,20H,2,9-10,19H2,1H3
InChIKeyFQONUXZYRLTYDX-UHFFFAOYSA-N
XLogP3.73
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
CID 75366101
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 10198700
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine (CID 75465017) is 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine is CCOc1ccc(-c2ccc3[nH]cc(CCN)c3c2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine?
The InChIKey is FQONUXZYRLTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-21-16-6-3-13(4-7-16)14-5-8-18-17(11-14)15(9-10-19)12-20-18/h3-8,11-12,20H,2,9-10,19H2,1H3.
What are the key properties of 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine?
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 75465017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).