1-(5-bromofuran-2-yl)-2-methylpropan-2-amine

C8H12BrNO — CID 82661256

IUPAC1-(5-bromofuran-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(Br)o1
InChIInChI=1S/C8H12BrNO/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4H,5,10H2,1-2H3
InChIKeyKHCJSYZBXOSNEQ-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine

1-(5-bromofuran-2-yl)-2-methylpropan-2-amine (PubChem CID 82661256) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-methylpropan-2-amine
PubChem CID82661256
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name1-(5-bromofuran-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(Br)o1
InChIInChI=1S/C8H12BrNO/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4H,5,10H2,1-2H3
InChIKeyKHCJSYZBXOSNEQ-UHFFFAOYSA-N
XLogP2.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
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1-(5-bromofuran-2-yl)-N-methylmethanamine
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3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186158
2-bromo-5-butylfuran
CID 59059059
(5-bromofuran-2-yl)methyl carbonochloridate
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1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
N-[(5-bromofuran-2-yl)methyl]-N'-tert-butylpropane-1,3-diamine
CID 115572727
2-bromo-5-(trifluoromethoxymethyl)furan
CID 53441705
N-[(5-bromofuran-2-yl)methoxy]methanamine
CID 117126797
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CID 79548181

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine (CID 82661256) is 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine?
The InChIKey is KHCJSYZBXOSNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4H,5,10H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine?
1-(5-bromofuran-2-yl)-2-methylpropan-2-amine has a molecular weight of 218.09 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82661256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).