1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine

C13H15ClFNO — CID 65439273

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc2cc(F)cc(Cl)c2o1)C(C)C
InChIInChI=1S/C13H15ClFNO/c1-7(2)12(16-3)11-5-8-4-9(15)6-10(14)13(8)17-11/h4-7,12,16H,1-3H3
InChIKeyIELJJEAWLXAGIW-UHFFFAOYSA-N
MW255.72 g/mol
LogP4.14
Rot. Bonds3

About 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 65439273) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID65439273
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc2cc(F)cc(Cl)c2o1)C(C)C
InChIInChI=1S/C13H15ClFNO/c1-7(2)12(16-3)11-5-8-4-9(15)6-10(14)13(8)17-11/h4-7,12,16H,1-3H3
InChIKeyIELJJEAWLXAGIW-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine (CID 65439273) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine is CNC(c1cc2cc(F)cc(Cl)c2o1)C(C)C.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is IELJJEAWLXAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-7(2)12(16-3)11-5-8-4-9(15)6-10(14)13(8)17-11/h4-7,12,16H,1-3H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 255.72 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 65439273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).