1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine

C13H16FNO2 — CID 107663057

IUPAC1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2c(F)c(C)ccc2c1COC
InChIInChI=1S/C13H16FNO2/c1-8-4-5-9-10(7-16-3)11(6-15-2)17-13(9)12(8)14/h4-5,15H,6-7H2,1-3H3
InChIKeyKMQOJEXYQNHEJC-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.75
Rot. Bonds4

About 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine

1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 107663057) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID107663057
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2c(F)c(C)ccc2c1COC
InChIInChI=1S/C13H16FNO2/c1-8-4-5-9-10(7-16-3)11(6-15-2)17-13(9)12(8)14/h4-5,15H,6-7H2,1-3H3
InChIKeyKMQOJEXYQNHEJC-UHFFFAOYSA-N
XLogP2.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
1-(3-ethyl-7-fluoro-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843187
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 102990740
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[[6,7-difluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114377274
[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine
CID 114276844
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine (CID 107663057) is 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine is CNCc1oc2c(F)c(C)ccc2c1COC.
What is the InChIKey of 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is KMQOJEXYQNHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-4-5-9-10(7-16-3)11(6-15-2)17-13(9)12(8)14/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine?
1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 237.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107663057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).