4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine

C21H26N2O2 — CID 4237687

IUPAC4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
SMILESCCOc1ccccc1-c1[nH]c2ccc(OC)cc2c1CCCCN
InChIInChI=1S/C21H26N2O2/c1-3-25-20-10-5-4-9-17(20)21-16(8-6-7-13-22)18-14-15(24-2)11-12-19(18)23-21/h4-5,9-12,14,23H,3,6-8,13,22H2,1-2H3
InChIKeyOSKIMEMJSYPDOT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.52
Rot. Bonds8

About 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine

4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine (PubChem CID 4237687) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
PubChem CID4237687
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
SMILESCCOc1ccccc1-c1[nH]c2ccc(OC)cc2c1CCCCN
InChIInChI=1S/C21H26N2O2/c1-3-25-20-10-5-4-9-17(20)21-16(8-6-7-13-22)18-14-15(24-2)11-12-19(18)23-21/h4-5,9-12,14,23H,3,6-8,13,22H2,1-2H3
InChIKeyOSKIMEMJSYPDOT-UHFFFAOYSA-N
XLogP4.52
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,4-dimethoxyphenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 5031187
4-[2-(2-ethoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3902538
4-[5-butyl-2-(2-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4287301
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182
4-[5-ethoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4309736
4-[5-ethyl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3931993
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[2-(1,3-benzodioxol-5-yl)-5-ethoxy-1H-indol-3-yl]butan-1-amine
CID 3605261
4-[2-(2-iodophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine
CID 3472780
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine (CID 4237687) is 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine is CCOc1ccccc1-c1[nH]c2ccc(OC)cc2c1CCCCN.
What is the InChIKey of 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine?
The InChIKey is OSKIMEMJSYPDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-25-20-10-5-4-9-17(20)21-16(8-6-7-13-22)18-14-15(24-2)11-12-19(18)23-21/h4-5,9-12,14,23H,3,6-8,13,22H2,1-2H3.
What are the key properties of 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine?
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4237687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).