N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

C14H17BrFNO — CID 61281523

IUPACN-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(F)cc(Br)cc2c1C
InChIInChI=1S/C14H17BrFNO/c1-4-5-17-9(3)13-8(2)11-6-10(15)7-12(16)14(11)18-13/h6-7,9,17H,4-5H2,1-3H3
InChIKeySJZQBQAGGVZECH-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.70
Rot. Bonds4

About N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 61281523) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID61281523
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC NameN-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(F)cc(Br)cc2c1C
InChIInChI=1S/C14H17BrFNO/c1-4-5-17-9(3)13-8(2)11-6-10(15)7-12(16)14(11)18-13/h6-7,9,17H,4-5H2,1-3H3
InChIKeySJZQBQAGGVZECH-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-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 N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 61281523) is N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2c(F)cc(Br)cc2c1C.
What is the InChIKey of N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is SJZQBQAGGVZECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-4-5-17-9(3)13-8(2)11-6-10(15)7-12(16)14(11)18-13/h6-7,9,17H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 314.20 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).