1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine

C14H20BrNO — CID 104541692

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H20BrNO/c1-3-4-5-13(16-2)12-9-11(15)8-10-6-7-17-14(10)12/h8-9,13,16H,3-7H2,1-2H3
InChIKeyYKWUALPLFLTODY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine (PubChem CID 104541692) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
PubChem CID104541692
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H20BrNO/c1-3-4-5-13(16-2)12-9-11(15)8-10-6-7-17-14(10)12/h8-9,13,16H,3-7H2,1-2H3
InChIKeyYKWUALPLFLTODY-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-1-amine
CID 104545544
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104541671
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
5-bromo-7-(1-chlorooctyl)-2,3-dihydro-1-benzofuran
CID 104543327
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine
CID 104541854
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine
CID 105031744
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclopropyl-N-ethylethanamine
CID 104541832
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
ethyl 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117484723
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 104541616

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine (CID 104541692) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine is CCCCC(NC)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
The InChIKey is YKWUALPLFLTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-4-5-13(16-2)12-9-11(15)8-10-6-7-17-14(10)12/h8-9,13,16H,3-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 104541692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).