3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline

C20H22Br2N2O — CID 91113881

IUPAC3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline
SMILESCCCCc1c[nH]c2ccc(Oc3c(Br)cc(NCC)cc3Br)cc12
InChIInChI=1S/C20H22Br2N2O/c1-3-5-6-13-12-24-19-8-7-15(11-16(13)19)25-20-17(21)9-14(23-4-2)10-18(20)22/h7-12,23-24H,3-6H2,1-2H3
InChIKeyUUSDNUNYCJFUIS-UHFFFAOYSA-N
MW466.22 g/mol
LogP7.26
Rot. Bonds7

About 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline

3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline (PubChem CID 91113881) has the molecular formula C20H22Br2N2O and a molecular weight of 466.22 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline.

Molecular Properties

Compound Name3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline
PubChem CID91113881
Molecular FormulaC20H22Br2N2O
Molecular Weight466.22 g/mol
Exact Mass464.01
IUPAC Name3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline
SMILESCCCCc1c[nH]c2ccc(Oc3c(Br)cc(NCC)cc3Br)cc12
InChIInChI=1S/C20H22Br2N2O/c1-3-5-6-13-12-24-19-8-7-15(11-16(13)19)25-20-17(21)9-14(23-4-2)10-18(20)22/h7-12,23-24H,3-6H2,1-2H3
InChIKeyUUSDNUNYCJFUIS-UHFFFAOYSA-N
XLogP7.26
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.22
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-ethyl-4-[(3-pentyl-1H-indol-5-yl)oxy]aniline
CID 91803945
[3,5-dibromo-4-[(3-ethyl-1H-indol-5-yl)oxy]phenyl]-methoxyazanium;ethane;pentane
CID 142086244
3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
CID 143093423
2-[4-[(3-butyl-1H-indol-5-yl)oxy]-3-chloro-5-methylphenoxy]acetic acid
CID 22669547
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-[4-[(3-hexyl-1H-indol-5-yl)oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669793
3-propyl-1H-indol-5-ol
CID 15366338
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline?
The IUPAC name of 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline (CID 91113881) is 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline.
What is the SMILES notation for 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline?
The canonical SMILES for 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline is CCCCc1c[nH]c2ccc(Oc3c(Br)cc(NCC)cc3Br)cc12.
What is the InChIKey of 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline?
The InChIKey is UUSDNUNYCJFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O/c1-3-5-6-13-12-24-19-8-7-15(11-16(13)19)25-20-17(21)9-14(23-4-2)10-18(20)22/h7-12,23-24H,3-6H2,1-2H3.
What are the key properties of 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline?
3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline has a molecular weight of 466.22 g/mol, XLogP of 7.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(3-butyl-1H-indol-5-yl)oxy]-N-ethylaniline is sourced from PubChem (CID 91113881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).