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

C15H17Br2NO2 — CID 115817423

IUPAC1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1ccc(Br)o1
InChIInChI=1S/C15H17Br2NO2/c1-3-18-12(14-6-7-15(17)20-14)9-10-8-11(16)4-5-13(10)19-2/h4-8,12,18H,3,9H2,1-2H3
InChIKeyXWWYISOJICEYDH-UHFFFAOYSA-N
MW403.11 g/mol
LogP4.71
Rot. Bonds6

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

1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine (PubChem CID 115817423) has the molecular formula C15H17Br2NO2 and a molecular weight of 403.11 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
PubChem CID115817423
Molecular FormulaC15H17Br2NO2
Molecular Weight403.11 g/mol
Exact Mass400.96
IUPAC Name1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1ccc(Br)o1
InChIInChI=1S/C15H17Br2NO2/c1-3-18-12(14-6-7-15(17)20-14)9-10-8-11(16)4-5-13(10)19-2/h4-8,12,18H,3,9H2,1-2H3
InChIKeyXWWYISOJICEYDH-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-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209
[2-(5-bromo-2-methoxyphenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694227
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
[1-(5-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethyl]hydrazine
CID 105297642
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105110441
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine (CID 115817423) is 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine is CCNC(Cc1cc(Br)ccc1OC)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine?
The InChIKey is XWWYISOJICEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO2/c1-3-18-12(14-6-7-15(17)20-14)9-10-8-11(16)4-5-13(10)19-2/h4-8,12,18H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine?
1-(5-bromofuran-2-yl)-2-(5-bromo-2-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-(5-bromo-2-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 115817423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).