1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine

C14H17BrFNO — CID 65440627

IUPAC1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2cc(Br)cc(F)c2o1)C(C)(C)C
InChIInChI=1S/C14H17BrFNO/c1-14(2,3)13(17-4)11-6-8-5-9(15)7-10(16)12(8)18-11/h5-7,13,17H,1-4H3
InChIKeyCZYIIORGWBPZLU-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.64
Rot. Bonds2

About 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine

1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 65440627) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID65440627
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2cc(Br)cc(F)c2o1)C(C)(C)C
InChIInChI=1S/C14H17BrFNO/c1-14(2,3)13(17-4)11-6-8-5-9(15)7-10(16)12(8)18-11/h5-7,13,17H,1-4H3
InChIKeyCZYIIORGWBPZLU-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65439587
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 116690977
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 65439832
1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
CID 65440371
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
CID 65439503
N,2,2-trimethyl-1-(4,6,7-trimethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440238
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114731348
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890
[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305275
1-(4-bromo-5-chloro-2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 105398791
1-(5,7-difluoro-1-benzofuran-2-yl)ethanol
CID 65438966
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine (CID 65440627) is 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc2cc(Br)cc(F)c2o1)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is CZYIIORGWBPZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-14(2,3)13(17-4)11-6-8-5-9(15)7-10(16)12(8)18-11/h5-7,13,17H,1-4H3.
What are the key properties of 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 314.20 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 65440627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).