4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline

C14H15BrFNO — CID 43121250

IUPAC4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline
SMILESCc1cc(C(C)Nc2ccc(Br)cc2F)c(C)o1
InChIInChI=1S/C14H15BrFNO/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3
InChIKeyYUWKCAYBDWYRQJ-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.97
Rot. Bonds3

About 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline

4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline (PubChem CID 43121250) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline
PubChem CID43121250
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline
SMILESCc1cc(C(C)Nc2ccc(Br)cc2F)c(C)o1
InChIInChI=1S/C14H15BrFNO/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3
InChIKeyYUWKCAYBDWYRQJ-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline (CID 43121250) is 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline is Cc1cc(C(C)Nc2ccc(Br)cc2F)c(C)o1.
What is the InChIKey of 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline?
The InChIKey is YUWKCAYBDWYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3.
What are the key properties of 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline?
4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline has a molecular weight of 312.18 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).