1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine

C11H16BrNO2 — CID 103986906

IUPAC1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1occc1Br
InChIInChI=1S/C11H16BrNO2/c1-13-10(6-8-2-4-14-7-8)11-9(12)3-5-15-11/h3,5,8,10,13H,2,4,6-7H2,1H3
InChIKeyWVYYUUJWJAJRSD-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine

1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 103986906) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID103986906
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1occc1Br
InChIInChI=1S/C11H16BrNO2/c1-13-10(6-8-2-4-14-7-8)11-9(12)3-5-15-11/h3,5,8,10,13H,2,4,6-7H2,1H3
InChIKeyWVYYUUJWJAJRSD-UHFFFAOYSA-N
XLogP2.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362110
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265938
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine
CID 115710275
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 103986906) is 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine is CNC(CC1CCOC1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is WVYYUUJWJAJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13-10(6-8-2-4-14-7-8)11-9(12)3-5-15-11/h3,5,8,10,13H,2,4,6-7H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.73, 4 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-methyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103986906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).