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

C13H17BrFNO — CID 113304917

IUPAC5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)c(F)cc2OC1CC
InChIInChI=1S/C13H17BrFNO/c1-3-5-16-13-8-6-9(14)10(15)7-12(8)17-11(13)4-2/h6-7,11,13,16H,3-5H2,1-2H3
InChIKeyPWTWDTXFWSTVPI-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.80
Rot. Bonds4

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

5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 113304917) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID113304917
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(Br)c(F)cc2OC1CC
InChIInChI=1S/C13H17BrFNO/c1-3-5-16-13-8-6-9(14)10(15)7-12(8)17-11(13)4-2/h6-7,11,13,16H,3-5H2,1-2H3
InChIKeyPWTWDTXFWSTVPI-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049037
5-bromo-N,2-diethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410622
2-ethyl-5,6-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661620
6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83233982
5-bromo-6-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049038
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661426
5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64720848
4-bromo-2-ethyl-6,7-difluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107100728
2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662426
5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667198
6-bromo-5-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83234025
5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 113304917) is 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(Br)c(F)cc2OC1CC.
What is the InChIKey of 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is PWTWDTXFWSTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-3-5-16-13-8-6-9(14)10(15)7-12(8)17-11(13)4-2/h6-7,11,13,16H,3-5H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 302.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 113304917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).