1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine

C15H17Br2NO2 — CID 115818150

IUPAC1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)c1ccc(Br)o1
InChIInChI=1S/C15H17Br2NO2/c1-3-18-12(14-6-7-15(17)20-14)9-10-4-5-13(19-2)11(16)8-10/h4-8,12,18H,3,9H2,1-2H3
InChIKeyRUZPQBLIJLGLKQ-UHFFFAOYSA-N
MW403.11 g/mol
LogP4.71
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine

1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine (PubChem CID 115818150) has the molecular formula C15H17Br2NO2 and a molecular weight of 403.11 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
PubChem CID115818150
Molecular FormulaC15H17Br2NO2
Molecular Weight403.11 g/mol
Exact Mass400.96
IUPAC Name1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)c1ccc(Br)o1
InChIInChI=1S/C15H17Br2NO2/c1-3-18-12(14-6-7-15(17)20-14)9-10-4-5-13(19-2)11(16)8-10/h4-8,12,18H,3,9H2,1-2H3
InChIKeyRUZPQBLIJLGLKQ-UHFFFAOYSA-N
XLogP4.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65200344
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine (CID 115818150) is 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine is CCNC(Cc1ccc(OC)c(Br)c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
The InChIKey is RUZPQBLIJLGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO2/c1-3-18-12(14-6-7-15(17)20-14)9-10-4-5-13(19-2)11(16)8-10/h4-8,12,18H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine has a molecular weight of 403.11 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 115818150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).