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

C12H15BrFNO — CID 115410622

IUPAC5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(Br)c(F)cc2OC1CC
InChIInChI=1S/C12H15BrFNO/c1-3-10-12(15-4-2)7-5-8(13)9(14)6-11(7)16-10/h5-6,10,12,15H,3-4H2,1-2H3
InChIKeyQJOVGEDQSRADDY-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds3

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

5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115410622) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115410622
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(Br)c(F)cc2OC1CC
InChIInChI=1S/C12H15BrFNO/c1-3-10-12(15-4-2)7-5-8(13)9(14)6-11(7)16-10/h5-6,10,12,15H,3-4H2,1-2H3
InChIKeyQJOVGEDQSRADDY-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 113304917
5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049037
5-bromo-6-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049038
5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663227
5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410640
6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83233982
6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83234025
5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049616
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661426
N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine
CID 64660615
4-bromo-2-ethyl-6,7-difluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107100728
5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64720848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine (CID 115410622) is 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2cc(Br)c(F)cc2OC1CC.
What is the InChIKey of 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QJOVGEDQSRADDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-10-12(15-4-2)7-5-8(13)9(14)6-11(7)16-10/h5-6,10,12,15H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 288.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115410622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).