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

C15H19ClFNO — CID 65438338

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cc2cc(F)cc(Cl)c2o1)C(C)(C)C
InChIInChI=1S/C15H19ClFNO/c1-5-18-14(15(2,3)4)12-7-9-6-10(17)8-11(16)13(9)19-12/h6-8,14,18H,5H2,1-4H3
InChIKeyULSIALBVLBWEAG-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.92
Rot. Bonds3

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

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 65438338) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID65438338
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cc2cc(F)cc(Cl)c2o1)C(C)(C)C
InChIInChI=1S/C15H19ClFNO/c1-5-18-14(15(2,3)4)12-7-9-6-10(17)8-11(16)13(9)19-12/h6-8,14,18H,5H2,1-4H3
InChIKeyULSIALBVLBWEAG-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.92
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-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 65438338) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1cc2cc(F)cc(Cl)c2o1)C(C)(C)C.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is ULSIALBVLBWEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-5-18-14(15(2,3)4)12-7-9-6-10(17)8-11(16)13(9)19-12/h6-8,14,18H,5H2,1-4H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 283.77 g/mol, XLogP of 4.92, 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-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 65438338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).