1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

C12H13F2NO — CID 62783724

IUPAC1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2cc(F)cc(F)c2c1C
InChIInChI=1S/C12H13F2NO/c1-6-11-9(14)4-8(13)5-10(11)16-12(6)7(2)15-3/h4-5,7,15H,1-3H3
InChIKeyYYCJCKRCNCBDHL-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.30
Rot. Bonds2

About 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 62783724) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID62783724
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2cc(F)cc(F)c2c1C
InChIInChI=1S/C12H13F2NO/c1-6-11-9(14)4-8(13)5-10(11)16-12(6)7(2)15-3/h4-5,7,15H,1-3H3
InChIKeyYYCJCKRCNCBDHL-UHFFFAOYSA-N
XLogP3.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048867
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281325
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440366
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 63398518
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 83125635
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775
1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 65428233
1-[5-(2,4-difluoro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113396555

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 62783724) is 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1oc2cc(F)cc(F)c2c1C.
What is the InChIKey of 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is YYCJCKRCNCBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-6-11-9(14)4-8(13)5-10(11)16-12(6)7(2)15-3/h4-5,7,15H,1-3H3.
What are the key properties of 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 225.24 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 62783724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).