1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine

C12H14BrNO — CID 84808251

IUPAC1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1oc2ccccc2c1Br
InChIInChI=1S/C12H14BrNO/c1-12(2,14)7-10-11(13)8-5-3-4-6-9(8)15-10/h3-6H,7,14H2,1-2H3
InChIKeyCOFSXNTVHVQRQC-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.48
Rot. Bonds2

About 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine

1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine (PubChem CID 84808251) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine
PubChem CID84808251
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1oc2ccccc2c1Br
InChIInChI=1S/C12H14BrNO/c1-12(2,14)7-10-11(13)8-5-3-4-6-9(8)15-10/h3-6H,7,14H2,1-2H3
InChIKeyCOFSXNTVHVQRQC-UHFFFAOYSA-N
XLogP3.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
CID 84800316
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
(3-methoxy-1-benzofuran-2-yl)methanamine
CID 75355394
4-bromodibenzofuran-2-amine
CID 122462972
(3-chloro-1-benzofuran-2-yl)methanamine
CID 83817093
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
1-bromothieno[2,3-b][1]benzofuran
CID 156788125
dibenzofuran;ethanol
CID 174821059
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine (CID 84808251) is 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1oc2ccccc2c1Br.
What is the InChIKey of 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine?
The InChIKey is COFSXNTVHVQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2,14)7-10-11(13)8-5-3-4-6-9(8)15-10/h3-6H,7,14H2,1-2H3.
What are the key properties of 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine?
1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine has a molecular weight of 268.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 84808251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).