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

C10H11BrFNO — CID 115410640

IUPAC5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(F)c(Br)cc21
InChIInChI=1S/C10H11BrFNO/c1-2-13-9-5-14-10-4-8(12)7(11)3-6(9)10/h3-4,9,13H,2,5H2,1H3
InChIKeyBAASYADFEBGYRU-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.63
Rot. Bonds2

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

5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115410640) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115410640
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(F)c(Br)cc21
InChIInChI=1S/C10H11BrFNO/c1-2-13-9-5-14-10-4-8(12)7(11)3-6(9)10/h3-4,9,13H,2,5H2,1H3
InChIKeyBAASYADFEBGYRU-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454508
(3S)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454509
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410622
N-[(3R)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 124844758
N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512441
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
6-bromo-7-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 177148105
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
8-bromo-7-fluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234979
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096753
5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 113304917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine (CID 115410640) is 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(F)c(Br)cc21.
What is the InChIKey of 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BAASYADFEBGYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-2-13-9-5-14-10-4-8(12)7(11)3-6(9)10/h3-4,9,13H,2,5H2,1H3.
What are the key properties of 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 260.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115410640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).