3-(3-bromofuran-2-yl)-2-methylpropan-1-amine

C8H12BrNO — CID 64664322

IUPAC3-(3-bromofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1occc1Br
InChIInChI=1S/C8H12BrNO/c1-6(5-10)4-8-7(9)2-3-11-8/h2-3,6H,4-5,10H2,1H3
InChIKeyMCNMZKMLEFKVDY-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.18
Rot. Bonds3

About 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine

3-(3-bromofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 64664322) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-2-methylpropan-1-amine
PubChem CID64664322
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name3-(3-bromofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1occc1Br
InChIInChI=1S/C8H12BrNO/c1-6(5-10)4-8-7(9)2-3-11-8/h2-3,6H,4-5,10H2,1H3
InChIKeyMCNMZKMLEFKVDY-UHFFFAOYSA-N
XLogP2.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine (CID 64664322) is 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1occc1Br.
What is the InChIKey of 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is MCNMZKMLEFKVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-6(5-10)4-8-7(9)2-3-11-8/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine?
3-(3-bromofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 218.09 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 64664322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).