N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine

C13H15BrFNO — CID 104843224

IUPACN-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2cc(F)c(Br)cc2c1CC
InChIInChI=1S/C13H15BrFNO/c1-3-8-9-5-10(14)11(15)6-12(9)17-13(8)7-16-4-2/h5-6,16H,3-4,7H2,1-2H3
InChIKeyDECXSFAMSHAJRP-UHFFFAOYSA-N
MW300.17 g/mol
LogP4.01
Rot. Bonds4

About N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 104843224) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID104843224
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC NameN-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2cc(F)c(Br)cc2c1CC
InChIInChI=1S/C13H15BrFNO/c1-3-8-9-5-10(14)11(15)6-12(9)17-13(8)7-16-4-2/h5-6,16H,3-4,7H2,1-2H3
InChIKeyDECXSFAMSHAJRP-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459871
1-[5-bromo-6-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377601
N-[[5-bromo-6-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377589
N-[(5-chloro-3-ethyl-7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114267988
1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839
N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 115410731
N-[(4-bromo-7-chloro-3-ethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 113459863
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 107102342
N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
CID 104843107
1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459838
N-[(5-bromo-6-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 115410691

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine (CID 104843224) is N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2cc(F)c(Br)cc2c1CC.
What is the InChIKey of N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is DECXSFAMSHAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-3-8-9-5-10(14)11(15)6-12(9)17-13(8)7-16-4-2/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 300.17 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 104843224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).