5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C13H17BrClNO — CID 64662423

IUPAC5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)cc(Cl)c2OC1CC
InChIInChI=1S/C13H17BrClNO/c1-3-5-16-12-9-6-8(14)7-10(15)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3
InChIKeyVGPCUDITAHEEHZ-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.31
Rot. Bonds4

About 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64662423) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64662423
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)cc(Cl)c2OC1CC
InChIInChI=1S/C13H17BrClNO/c1-3-5-16-12-9-6-8(14)7-10(15)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3
InChIKeyVGPCUDITAHEEHZ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 64662423) is 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(Br)cc(Cl)c2OC1CC.
What is the InChIKey of 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VGPCUDITAHEEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-3-5-16-12-9-6-8(14)7-10(15)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3.
What are the key properties of 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 318.64 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64662423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).