(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine

C14H14BrNO2 — CID 104541452

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H14BrNO2/c1-8-2-4-17-13(8)12(16)11-7-10(15)6-9-3-5-18-14(9)11/h2,4,6-7,12H,3,5,16H2,1H3
InChIKeyAJBNECYBVKZYTC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.33
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine (PubChem CID 104541452) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
PubChem CID104541452
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H14BrNO2/c1-8-2-4-17-13(8)12(16)11-7-10(15)6-9-3-5-18-14(9)11/h2,4,6-7,12H,3,5,16H2,1H3
InChIKeyAJBNECYBVKZYTC-UHFFFAOYSA-N
XLogP3.33
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanamine
CID 104541545
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylfuran-3-yl)methanol
CID 104542917
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromo-2-methylphenyl)methanol
CID 104543001
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-methylphenyl)methanol
CID 104542859
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine
CID 104541518
5-bromo-7-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543584
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-iodothiophen-3-yl)methanamine
CID 104541568
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104545449
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
CID 104804459

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine (CID 104541452) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is AJBNECYBVKZYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-8-2-4-17-13(8)12(16)11-7-10(15)6-9-3-5-18-14(9)11/h2,4,6-7,12H,3,5,16H2,1H3.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 308.18 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104541452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).