2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine

C17H22BrNO2 — CID 115817184

IUPAC2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1ccc(CC)o1
InChIInChI=1S/C17H22BrNO2/c1-4-14-7-9-17(21-14)15(19-5-2)11-12-10-13(18)6-8-16(12)20-3/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyWKPCAPFOFOZVLV-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.51
Rot. Bonds7

About 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine

2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine (PubChem CID 115817184) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
PubChem CID115817184
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1OC)c1ccc(CC)o1
InChIInChI=1S/C17H22BrNO2/c1-4-14-7-9-17(21-14)15(19-5-2)11-12-10-13(18)6-8-16(12)20-3/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyWKPCAPFOFOZVLV-UHFFFAOYSA-N
XLogP4.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
[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-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105110441
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243
1-(5-chlorofuran-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 106687833
N-ethyl-1-(5-ethylfuran-2-yl)-2-(4-ethylphenyl)ethanamine
CID 115803280

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine (CID 115817184) is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine is CCNC(Cc1cc(Br)ccc1OC)c1ccc(CC)o1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is WKPCAPFOFOZVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-4-14-7-9-17(21-14)15(19-5-2)11-12-10-13(18)6-8-16(12)20-3/h6-10,15,19H,4-5,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 352.27 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 115817184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).