1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine

C10H16BrNO — CID 106856875

IUPAC1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccoc1Br
InChIInChI=1S/C10H16BrNO/c1-3-5-9(12-4-2)8-6-7-13-10(8)11/h6-7,9,12H,3-5H2,1-2H3
InChIKeyACHHAJRCYXNHMO-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine

1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine (PubChem CID 106856875) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
PubChem CID106856875
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccoc1Br
InChIInChI=1S/C10H16BrNO/c1-3-5-9(12-4-2)8-6-7-13-10(8)11/h6-7,9,12H,3-5H2,1-2H3
InChIKeyACHHAJRCYXNHMO-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
1-(2-bromofuran-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 106857185
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine (CID 106856875) is 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine?
The InChIKey is ACHHAJRCYXNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-3-5-9(12-4-2)8-6-7-13-10(8)11/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine?
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 106856875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).