1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine

C13H20BrNO — CID 115708188

IUPAC1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
SMILESCC(NCCC1CCCC1)c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-10(13-12(14)7-9-16-13)15-8-6-11-4-2-3-5-11/h7,9-11,15H,2-6,8H2,1H3
InChIKeyIVLJAEGSTXBESX-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine

1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine (PubChem CID 115708188) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
PubChem CID115708188
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
SMILESCC(NCCC1CCCC1)c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-10(13-12(14)7-9-16-13)15-8-6-11-4-2-3-5-11/h7,9-11,15H,2-6,8H2,1H3
InChIKeyIVLJAEGSTXBESX-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine
CID 115705100
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine (CID 115708188) is 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine is CC(NCCC1CCCC1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine?
The InChIKey is IVLJAEGSTXBESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(13-12(14)7-9-16-13)15-8-6-11-4-2-3-5-11/h7,9-11,15H,2-6,8H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine?
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine has a molecular weight of 286.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine is sourced from PubChem (CID 115708188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).