[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine

C12H13F2NO2 — CID 114276844

IUPAC[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine
SMILESCOCc1c(CN)oc2c(C)cc(F)c(F)c12
InChIInChI=1S/C12H13F2NO2/c1-6-3-8(13)11(14)10-7(5-16-2)9(4-15)17-12(6)10/h3H,4-5,15H2,1-2H3
InChIKeyGDDRDOVNMRWJMN-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.62
Rot. Bonds3

About [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine

[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine (PubChem CID 114276844) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine
PubChem CID114276844
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine
SMILESCOCc1c(CN)oc2c(C)cc(F)c(F)c12
InChIInChI=1S/C12H13F2NO2/c1-6-3-8(13)11(14)10-7(5-16-2)9(4-15)17-12(6)10/h3H,4-5,15H2,1-2H3
InChIKeyGDDRDOVNMRWJMN-UHFFFAOYSA-N
XLogP2.62
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376786
1-[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]-N-methylmethanamine
CID 107663057
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375860
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
N-[[3-(methoxymethyl)-4,6,7-trimethyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114375733
(5-bromo-7-chloro-4-fluoro-3-propyl-1-benzofuran-2-yl)methanamine
CID 114270956
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 55077160
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
CID 176835455
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
N-[[4,6-difluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377249

Frequently Asked Questions

What is the IUPAC name of [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine?
The IUPAC name of [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine (CID 114276844) is [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine is COCc1c(CN)oc2c(C)cc(F)c(F)c12.
What is the InChIKey of [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine?
The InChIKey is GDDRDOVNMRWJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-6-3-8(13)11(14)10-7(5-16-2)9(4-15)17-12(6)10/h3H,4-5,15H2,1-2H3.
What are the key properties of [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine?
[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine has a molecular weight of 241.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114276844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).