1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine

C9H14BrNO — CID 130621385

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)C(C)c1occc1Br
InChIInChI=1S/C9H14BrNO/c1-4-11(3)7(2)9-8(10)5-6-12-9/h5-7H,4H2,1-3H3
InChIKeyPLTRQBWCZAEBIB-UHFFFAOYSA-N
MW232.12 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine

1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine (PubChem CID 130621385) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
PubChem CID130621385
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)C(C)c1occc1Br
InChIInChI=1S/C9H14BrNO/c1-4-11(3)7(2)9-8(10)5-6-12-9/h5-7H,4H2,1-3H3
InChIKeyPLTRQBWCZAEBIB-UHFFFAOYSA-N
XLogP3.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879
[1-(3-bromofuran-2-yl)-3-methylpentyl]hydrazine
CID 105309164
2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
CID 115927552
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79055906
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
CID 81019380
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
CID 115927326
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine (CID 130621385) is 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine is CCN(C)C(C)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine?
The InChIKey is PLTRQBWCZAEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-4-11(3)7(2)9-8(10)5-6-12-9/h5-7H,4H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine?
1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine has a molecular weight of 232.12 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 130621385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).