1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine

C16H20BrNO2 — CID 115861589

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1occc1Br
InChIInChI=1S/C16H20BrNO2/c1-3-18-15(16-14(17)10-11-20-16)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,10-11,15,18H,3,6,9H2,1-2H3
InChIKeyGYWWUOMSLCDGTG-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.33
Rot. Bonds7

About 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine

1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 115861589) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
PubChem CID115861589
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1occc1Br
InChIInChI=1S/C16H20BrNO2/c1-3-18-15(16-14(17)10-11-20-16)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,10-11,15,18H,3,6,9H2,1-2H3
InChIKeyGYWWUOMSLCDGTG-UHFFFAOYSA-N
XLogP4.33
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928465
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63943428
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
[1-(furan-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105213476
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 102803821

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine (CID 115861589) is 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine is CCNC(CCc1ccc(OC)cc1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is GYWWUOMSLCDGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-3-18-15(16-14(17)10-11-20-16)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,10-11,15,18H,3,6,9H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 115861589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).