4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine

C8H7BrClNO — CID 164912930

IUPAC4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine
SMILESNc1c(Cl)cc2c(c1Br)COC2
InChIInChI=1S/C8H7BrClNO/c9-7-5-3-12-2-4(5)1-6(10)8(7)11/h1H,2-3,11H2
InChIKeyHAKDVISGLKEWPZ-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.71
Rot. Bonds

About 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine

4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 164912930) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound Name4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine
PubChem CID164912930
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine
SMILESNc1c(Cl)cc2c(c1Br)COC2
InChIInChI=1S/C8H7BrClNO/c9-7-5-3-12-2-4(5)1-6(10)8(7)11/h1H,2-3,11H2
InChIKeyHAKDVISGLKEWPZ-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene
CID 175432366
6-amino-7-bromo-5-chloro-2,3-dihydroisoindol-1-one
CID 164913190
5-chloro-6-iodo-1,3-dihydro-2-benzofuran
CID 166545060
5,7-diiodo-1,3-dihydro-2-benzofuran-4-amine
CID 164908392
2-bromo-6-chloro-3,4-difluoroaniline
CID 122402925
3-bromo-2,4,6-trichloroaniline
CID 14898479
6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine
CID 155287046
5-chloro-1,3-dihydro-2-benzofuran-4-ol
CID 122620490
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
4-bromo-6-nitro-1,3-dihydro-2-benzofuran
CID 178200235
2,6-dichloro-4-(oxiran-2-yl)aniline
CID 15067146
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine (CID 164912930) is 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine is Nc1c(Cl)cc2c(c1Br)COC2.
What is the InChIKey of 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is HAKDVISGLKEWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c9-7-5-3-12-2-4(5)1-6(10)8(7)11/h1H,2-3,11H2.
What are the key properties of 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine?
4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 248.51 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 164912930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).