1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine

C12H14BrNO — CID 84808221

IUPAC1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine
SMILESCC1Cc2cc(Br)cc(C3(N)CC3)c2O1
InChIInChI=1S/C12H14BrNO/c1-7-4-8-5-9(13)6-10(11(8)15-7)12(14)2-3-12/h5-7H,2-4,14H2,1H3
InChIKeyLJAYVJUQPNNZBP-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.72
Rot. Bonds1

About 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine

1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine (PubChem CID 84808221) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine
PubChem CID84808221
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine
SMILESCC1Cc2cc(Br)cc(C3(N)CC3)c2O1
InChIInChI=1S/C12H14BrNO/c1-7-4-8-5-9(13)6-10(11(8)15-7)12(14)2-3-12/h5-7H,2-4,14H2,1H3
InChIKeyLJAYVJUQPNNZBP-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine
CID 117402373
N-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]hydroxylamine
CID 117398306
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
CID 117456869
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84809035
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
CID 115010472
3-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117498259
2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
CID 117495200
1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
CID 117402359

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine (CID 84808221) is 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine is CC1Cc2cc(Br)cc(C3(N)CC3)c2O1.
What is the InChIKey of 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine?
The InChIKey is LJAYVJUQPNNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-7-4-8-5-9(13)6-10(11(8)15-7)12(14)2-3-12/h5-7H,2-4,14H2,1H3.
What are the key properties of 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine?
1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine has a molecular weight of 268.15 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)cyclopropan-1-amine is sourced from PubChem (CID 84808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).