5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H13ClFNO — CID 82716125

IUPAC5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(Cl)c(F)cc2OC1C
InChIInChI=1S/C11H13ClFNO/c1-3-14-11-6(2)15-10-5-9(13)8(12)4-7(10)11/h4-6,11,14H,3H2,1-2H3
InChIKeyMEWRSRKQBAFXSC-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.91
Rot. Bonds2

About 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 82716125) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID82716125
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2cc(Cl)c(F)cc2OC1C
InChIInChI=1S/C11H13ClFNO/c1-3-14-11-6(2)15-10-5-9(13)8(12)4-7(10)11/h4-6,11,14H,3H2,1-2H3
InChIKeyMEWRSRKQBAFXSC-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine 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

1-(2-(4-Chlorophenoxy)-5-fluorophenyl)-N-methylmethanamine
CID 9965169
1-(2-(4-chlorophenoxy)-5-fluorophenyl)-N-methylethanamine
CID 9814248
1-(2-(4-chlorophenoxy)phenyl)-N-methylethanamine
CID 9834987
N-[2-(allyloxy)-5-chlorobenzyl]cyclopentanamine hydrochloride
CID 2959706
2-[2-[(5-Chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957117
N'-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-N,N-diethyl-1,2-ethanediamine dihydrochloride
CID 16189708
1-[2-(4-chloro-2-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44455707
N-(5-chloro-2-ethoxybenzyl)-3-ethoxy-1-propanamine hydrochloride
CID 2968776
2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
7-Chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride
CID 28065246
N-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-2-methylpropan-2-amine
CID 833954
N-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-2-methyl-2-propanamine hydrochloride
CID 2942115

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 82716125) is 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2cc(Cl)c(F)cc2OC1C.
What is the InChIKey of 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MEWRSRKQBAFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-3-14-11-6(2)15-10-5-9(13)8(12)4-7(10)11/h4-6,11,14H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 229.68 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 82716125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).