1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine

C16H24BrNO — CID 104541854

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H24BrNO/c1-4-18-15(6-5-11(2)3)14-10-13(17)9-12-7-8-19-16(12)14/h9-11,15,18H,4-8H2,1-3H3
InChIKeyJLVWDPBFBISHEB-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.47
Rot. Bonds6

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 104541854) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine
PubChem CID104541854
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H24BrNO/c1-4-18-15(6-5-11(2)3)14-10-13(17)9-12-7-8-19-16(12)14/h9-11,15,18H,4-8H2,1-3H3
InChIKeyJLVWDPBFBISHEB-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclopropyl-N-ethylethanamine
CID 104541832
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 104541692
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-2-yl)methyl]ethanamine
CID 104541878
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chlorophenyl)methyl]ethanamine
CID 104541804
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104541671
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
5-bromo-7-(1-chlorooctyl)-2,3-dihydro-1-benzofuran
CID 104543327

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine (CID 104541854) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is JLVWDPBFBISHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-18-15(6-5-11(2)3)14-10-13(17)9-12-7-8-19-16(12)14/h9-11,15,18H,4-8H2,1-3H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.47, 6 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-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 104541854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).