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

C13H15ClFNO — CID 65440174

IUPACN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C13H15ClFNO/c1-13(2,3)16-7-10-5-8-4-9(15)6-11(14)12(8)17-10/h4-6,16H,7H2,1-3H3
InChIKeyYWHBOWMVMSZYQG-UHFFFAOYSA-N
MW255.72 g/mol
LogP4.11
Rot. Bonds2

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

N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 65440174) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID65440174
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC NameN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C13H15ClFNO/c1-13(2,3)16-7-10-5-8-4-9(15)6-11(14)12(8)17-10/h4-6,16H,7H2,1-3H3
InChIKeyYWHBOWMVMSZYQG-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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 65440174) is N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc2cc(F)cc(Cl)c2o1.
What is the InChIKey of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is YWHBOWMVMSZYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-13(2,3)16-7-10-5-8-4-9(15)6-11(14)12(8)17-10/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(7-chloro-5-fluoro-1-benzofuran-2-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-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65440174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).