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

C11H16BrNO2 — CID 63943419

IUPAC1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1occc1Br
InChIInChI=1S/C11H16BrNO2/c1-13-10(7-8-3-2-5-14-8)11-9(12)4-6-15-11/h4,6,8,10,13H,2-3,5,7H2,1H3
InChIKeyOLPKVLLTQVFTTB-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.87
Rot. Bonds4

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

1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 63943419) 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-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID63943419
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1occc1Br
InChIInChI=1S/C11H16BrNO2/c1-13-10(7-8-3-2-5-14-8)11-9(12)4-6-15-11/h4,6,8,10,13H,2-3,5,7H2,1H3
InChIKeyOLPKVLLTQVFTTB-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103986906
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 106942992
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
CID 115800610
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 63943419) is 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is OLPKVLLTQVFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13-10(7-8-3-2-5-14-8)11-9(12)4-6-15-11/h4,6,8,10,13H,2-3,5,7H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.87, 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-2-yl)ethanamine is sourced from PubChem (CID 63943419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).