1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

C10H16BrNO2 — CID 105150533

IUPAC1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)c1occc1Br
InChIInChI=1S/C10H16BrNO2/c1-10(2,3)14-6-8(12)9-7(11)4-5-13-9/h4-5,8H,6,12H2,1-3H3
InChIKeyBXUWWKBVPOBOQX-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.86
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105150533) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105150533
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)c1occc1Br
InChIInChI=1S/C10H16BrNO2/c1-10(2,3)14-6-8(12)9-7(11)4-5-13-9/h4-5,8H,6,12H2,1-3H3
InChIKeyBXUWWKBVPOBOQX-UHFFFAOYSA-N
XLogP2.86
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105150533) is 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OCC(N)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is BXUWWKBVPOBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-10(2,3)14-6-8(12)9-7(11)4-5-13-9/h4-5,8H,6,12H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 262.15 g/mol, XLogP of 2.86, 3 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)-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105150533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).