2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C16H17BrN2O — CID 114877893

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H17BrN2O/c1-10-2-4-19-9-14(10)15(18)8-12-7-13(17)6-11-3-5-20-16(11)12/h2,4,6-7,9,15H,3,5,8,18H2,1H3
InChIKeyHVLKHIOEAZKKHJ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.33
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 114877893) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID114877893
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H17BrN2O/c1-10-2-4-19-9-14(10)15(18)8-12-7-13(17)6-11-3-5-20-16(11)12/h2,4,6-7,9,15H,3,5,8,18H2,1H3
InChIKeyHVLKHIOEAZKKHJ-UHFFFAOYSA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878133
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105178517
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105031711
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105178387
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 114877893) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is HVLKHIOEAZKKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-2-4-19-9-14(10)15(18)8-12-7-13(17)6-11-3-5-20-16(11)12/h2,4,6-7,9,15H,3,5,8,18H2,1H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 333.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 114877893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).