1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine

C13H16BrNO — CID 104843160

IUPAC1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(C)cc(Br)cc12
InChIInChI=1S/C13H16BrNO/c1-4-10-11-6-9(14)5-8(2)13(11)16-12(10)7-15-3/h5-6,15H,4,7H2,1-3H3
InChIKeyVNJBWIIPCGZGFB-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.79
Rot. Bonds3

About 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 104843160) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID104843160
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(C)cc(Br)cc12
InChIInChI=1S/C13H16BrNO/c1-4-10-11-6-9(14)5-8(2)13(11)16-12(10)7-15-3/h5-6,15H,4,7H2,1-3H3
InChIKeyVNJBWIIPCGZGFB-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843212
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
N-[(7-bromo-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842925
1-(3-ethyl-7-fluoro-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843187
N-methyl-1-(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methanamine
CID 104842865
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 104843160) is 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2c(C)cc(Br)cc12.
What is the InChIKey of 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is VNJBWIIPCGZGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-4-10-11-6-9(14)5-8(2)13(11)16-12(10)7-15-3/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 282.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104843160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).