1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine

C12H20BrNO2 — CID 105150512

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1occc1Br
InChIInChI=1S/C12H20BrNO2/c1-3-7-15-8-6-11(14-4-2)12-10(13)5-9-16-12/h5,9,11,14H,3-4,6-8H2,1-2H3
InChIKeyOMCUEGKXTIEDSL-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.51
Rot. Bonds8

About 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine

1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine (PubChem CID 105150512) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
PubChem CID105150512
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1occc1Br
InChIInChI=1S/C12H20BrNO2/c1-3-7-15-8-6-11(14-4-2)12-10(13)5-9-16-12/h5,9,11,14H,3-4,6-8H2,1-2H3
InChIKeyOMCUEGKXTIEDSL-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
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
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
CID 105153974
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine (CID 105150512) is 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine is CCCOCCC(NCC)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine?
The InChIKey is OMCUEGKXTIEDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-3-7-15-8-6-11(14-4-2)12-10(13)5-9-16-12/h5,9,11,14H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine?
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine has a molecular weight of 290.20 g/mol, XLogP of 3.51, 8 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-propoxypropan-1-amine is sourced from PubChem (CID 105150512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).