3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine

C12H14BrNO — CID 83902804

IUPAC3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc2cc(Br)oc2c1
InChIInChI=1S/C12H14BrNO/c1-8(7-14)4-9-2-3-10-6-12(13)15-11(10)5-9/h2-3,5-6,8H,4,7,14H2,1H3
InChIKeyDCHJEZLNSKOLOI-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.33
Rot. Bonds3

About 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine

3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine (PubChem CID 83902804) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
PubChem CID83902804
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc2cc(Br)oc2c1
InChIInChI=1S/C12H14BrNO/c1-8(7-14)4-9-2-3-10-6-12(13)15-11(10)5-9/h2-3,5-6,8H,4,7,14H2,1H3
InChIKeyDCHJEZLNSKOLOI-UHFFFAOYSA-N
XLogP3.33
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
CID 83900820
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
[2-(2-methylpropyl)-1-benzofuran-6-yl]methanamine
CID 84671699
2-(2-bromo-1-benzofuran-5-yl)propan-1-amine
CID 83900835
3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine
CID 83883007
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
CID 64664962
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine (CID 83902804) is 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine is CC(CN)Cc1ccc2cc(Br)oc2c1.
What is the InChIKey of 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine?
The InChIKey is DCHJEZLNSKOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(7-14)4-9-2-3-10-6-12(13)15-11(10)5-9/h2-3,5-6,8H,4,7,14H2,1H3.
What are the key properties of 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine?
3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine has a molecular weight of 268.15 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83902804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).