N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine

C15H20BrNO2 — CID 107727434

IUPACN-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2cc(C)c(Br)c(C)c2c1COC
InChIInChI=1S/C15H20BrNO2/c1-5-17-7-13-11(8-18-4)14-10(3)15(16)9(2)6-12(14)19-13/h6,17H,5,7-8H2,1-4H3
InChIKeyXQZIIZYSYKGSHU-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.07
Rot. Bonds5

About N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine

N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 107727434) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID107727434
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2cc(C)c(Br)c(C)c2c1COC
InChIInChI=1S/C15H20BrNO2/c1-5-17-7-13-11(8-18-4)14-10(3)15(16)9(2)6-12(14)19-13/h6,17H,5,7-8H2,1-4H3
InChIKeyXQZIIZYSYKGSHU-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107727469
N-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
CID 114376622
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
N-[1-(5-bromo-3,4,6-trimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 107725506
N-[[3-(methoxymethyl)-4,6,7-trimethyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114375733
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377044
N-[(5-bromo-3-ethyl-6-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 104843224
N-[[5-bromo-6-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377589
N-[[5-bromo-4,7-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 107662994

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine (CID 107727434) is N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2cc(C)c(Br)c(C)c2c1COC.
What is the InChIKey of N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is XQZIIZYSYKGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-5-17-7-13-11(8-18-4)14-10(3)15(16)9(2)6-12(14)19-13/h6,17H,5,7-8H2,1-4H3.
What are the key properties of N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine?
N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 326.23 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 107727434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).