(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine

C13H15BrClNO — CID 55196950

IUPAC(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine
SMILESCC(C)(C)c1c(CN)oc2c(Br)cc(Cl)cc12
InChIInChI=1S/C13H15BrClNO/c1-13(2,3)11-8-4-7(15)5-9(14)12(8)17-10(11)6-16/h4-5H,6,16H2,1-3H3
InChIKeyHDZDUSHTVKLLLY-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.60
Rot. Bonds1

About (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine

(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine (PubChem CID 55196950) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine
PubChem CID55196950
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine
SMILESCC(C)(C)c1c(CN)oc2c(Br)cc(Cl)cc12
InChIInChI=1S/C13H15BrClNO/c1-13(2,3)11-8-4-7(15)5-9(14)12(8)17-10(11)6-16/h4-5H,6,16H2,1-3H3
InChIKeyHDZDUSHTVKLLLY-UHFFFAOYSA-N
XLogP4.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine 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-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine (CID 55196950) is (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine is CC(C)(C)c1c(CN)oc2c(Br)cc(Cl)cc12.
What is the InChIKey of (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine?
The InChIKey is HDZDUSHTVKLLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-13(2,3)11-8-4-7(15)5-9(14)12(8)17-10(11)6-16/h4-5H,6,16H2,1-3H3.
What are the key properties of (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine?
(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine has a molecular weight of 316.63 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 55196950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).