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

C13H17BrFNO — CID 64661426

IUPAC7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(F)cc(Br)c2OC1CC
InChIInChI=1S/C13H17BrFNO/c1-3-5-16-12-9-6-8(15)7-10(14)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3
InChIKeyNGWOVFGCWAPUGA-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.80
Rot. Bonds4

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

7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64661426) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64661426
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(F)cc(Br)c2OC1CC
InChIInChI=1S/C13H17BrFNO/c1-3-5-16-12-9-6-8(15)7-10(14)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3
InChIKeyNGWOVFGCWAPUGA-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-ethyl-5-fluoro-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 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 64661426) is 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(F)cc(Br)c2OC1CC.
What is the InChIKey of 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NGWOVFGCWAPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-3-5-16-12-9-6-8(15)7-10(14)13(9)17-11(12)4-2/h6-7,11-12,16H,3-5H2,1-2H3.
What are the key properties of 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 302.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64661426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).