1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine

C12H18BrNO2 — CID 115727604

IUPAC1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCCO1)c1occc1Br
InChIInChI=1S/C12H18BrNO2/c1-9(11-10(13)4-7-15-11)14-8-12(2)5-3-6-16-12/h4,7,9,14H,3,5-6,8H2,1-2H3
InChIKeyBAKHIJNGCXBIJB-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.26
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine

1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 115727604) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
PubChem CID115727604
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCCO1)c1occc1Br
InChIInChI=1S/C12H18BrNO2/c1-9(11-10(13)4-7-15-11)14-8-12(2)5-3-6-16-12/h4,7,9,14H,3,5-6,8H2,1-2H3
InChIKeyBAKHIJNGCXBIJB-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
[1-[1-(3-bromofuran-2-yl)ethylamino]cyclobutyl]methanol
CID 115927959
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777981
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine
CID 115705100
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine (CID 115727604) is 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine is CC(NCC1(C)CCCO1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is BAKHIJNGCXBIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(11-10(13)4-7-15-11)14-8-12(2)5-3-6-16-12/h4,7,9,14H,3,5-6,8H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine?
1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 288.18 g/mol, XLogP of 3.26, 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-[(2-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 115727604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).