5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

C14H19BrFNO — CID 83049037

IUPAC5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)c(F)cc2OC1CCC
InChIInChI=1S/C14H19BrFNO/c1-3-5-12-14(17-6-4-2)9-7-10(15)11(16)8-13(9)18-12/h7-8,12,14,17H,3-6H2,1-2H3
InChIKeyWPWQCBRXKNQMTM-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.19
Rot. Bonds5

About 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049037) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049037
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)c(F)cc2OC1CCC
InChIInChI=1S/C14H19BrFNO/c1-3-5-12-14(17-6-4-2)9-7-10(15)11(16)8-13(9)18-12/h7-8,12,14,17H,3-6H2,1-2H3
InChIKeyWPWQCBRXKNQMTM-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049037) is 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(Br)c(F)cc2OC1CCC.
What is the InChIKey of 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is WPWQCBRXKNQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-3-5-12-14(17-6-4-2)9-7-10(15)11(16)8-13(9)18-12/h7-8,12,14,17H,3-6H2,1-2H3.
What are the key properties of 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 316.21 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).