6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

C10H12BrNO — CID 79983494

IUPAC6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(Br)ccc2C1N
InChIInChI=1S/C10H12BrNO/c1-2-8-10(12)7-4-3-6(11)5-9(7)13-8/h3-5,8,10H,2,12H2,1H3
InChIKeyUIWMYSLDMCUPGG-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.62
Rot. Bonds1

About 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79983494) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79983494
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(Br)ccc2C1N
InChIInChI=1S/C10H12BrNO/c1-2-8-10(12)7-4-3-6(11)5-9(7)13-8/h3-5,8,10H,2,12H2,1H3
InChIKeyUIWMYSLDMCUPGG-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromo-2-methoxy-phenyl)-1-methyl-ethylamine
CID 13547422
2-(4-Bromo-2-methoxyphenyl)ethanamine
CID 15128236
3-Amino-2,3-dihydrobenzofuran
CID 13778152
4-Bromo-2-methoxy-alpha-methylbenzenemethanamine
CID 18699242
3-[2-(1-Aminoethyl)-5-bromophenoxy]propan-1-ol
CID 82976015
6-bromo-3,4-dihydro-2H-1-benzopyran-4-amine
CID 16244414
2,3-Dihydro-1-benzofuran-3-amine hydrochloride
CID 47002508
5-Bromo-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 53408104
6-Fluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 66927081
4-Fluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 71742121
2-Methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 119031462
5-bromo-3,4-dihydro-2H-1-benzopyran-3-amine hydrochloride
CID 126809450

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 79983494) is 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2cc(Br)ccc2C1N.
What is the InChIKey of 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is UIWMYSLDMCUPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-8-10(12)7-4-3-6(11)5-9(7)13-8/h3-5,8,10H,2,12H2,1H3.
What are the key properties of 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 242.12 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79983494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).