1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine

C11H14FNO — CID 117198407

IUPAC1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)C1Cc2c(F)cccc2O1
InChIInChI=1S/C11H14FNO/c1-7(13-2)11-6-8-9(12)4-3-5-10(8)14-11/h3-5,7,11,13H,6H2,1-2H3
InChIKeyLNJBBMGNCIVQGK-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.74
Rot. Bonds2

About 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine

1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 117198407) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID117198407
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)C1Cc2c(F)cccc2O1
InChIInChI=1S/C11H14FNO/c1-7(13-2)11-6-8-9(12)4-3-5-10(8)14-11/h3-5,7,11,13H,6H2,1-2H3
InChIKeyLNJBBMGNCIVQGK-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105460931
1-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methylmethanamine
CID 106601524
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483195
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
3-(2,6-difluorophenyl)-N-methylbutan-2-amine
CID 66437420
1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine
CID 117198427
(3aR,9aS)-2-benzyl-8-fluoro-3,3a,9,9a-tetrahydro-1H-chromeno[2,3-c]pyrrole
CID 22839558
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide
CID 110179030
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 79746928
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337
1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 65409515
8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
CID 142279492

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine (CID 117198407) is 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)C1Cc2c(F)cccc2O1.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is LNJBBMGNCIVQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(13-2)11-6-8-9(12)4-3-5-10(8)14-11/h3-5,7,11,13H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine?
1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 195.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 117198407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).