N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine

C13H15ClFNO — CID 114267971

IUPACN-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc2c(F)cc(Cl)cc12
InChIInChI=1S/C13H15ClFNO/c1-13(2,3)16-6-8-7-17-12-10(8)4-9(14)5-11(12)15/h4-5,7,16H,6H2,1-3H3
InChIKeyKZOWSUVOUVLAAR-UHFFFAOYSA-N
MW255.72 g/mol
LogP4.11
Rot. Bonds2

About N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine

N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 114267971) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID114267971
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC NameN-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc2c(F)cc(Cl)cc12
InChIInChI=1S/C13H15ClFNO/c1-13(2,3)16-6-8-7-17-12-10(8)4-9(14)5-11(12)15/h4-5,7,16H,6H2,1-3H3
InChIKeyKZOWSUVOUVLAAR-UHFFFAOYSA-N
XLogP4.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-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-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine (CID 114267971) is N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc2c(F)cc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is KZOWSUVOUVLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-13(2,3)16-6-8-7-17-12-10(8)4-9(14)5-11(12)15/h4-5,7,16H,6H2,1-3H3.
What are the key properties of N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine?
N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 255.72 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114267971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).