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

C11H13ClFNO2 — CID 82716042

IUPAC5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(F)c(Cl)cc2C1NOC
InChIInChI=1S/C11H13ClFNO2/c1-3-9-11(14-15-2)6-4-7(12)8(13)5-10(6)16-9/h4-5,9,11,14H,3H2,1-2H3
InChIKeyIVHFEGUPBXCOSK-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.84
Rot. Bonds3

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

5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 82716042) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID82716042
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2cc(F)c(Cl)cc2C1NOC
InChIInChI=1S/C11H13ClFNO2/c1-3-9-11(14-15-2)6-4-7(12)8(13)5-10(6)16-9/h4-5,9,11,14H,3H2,1-2H3
InChIKeyIVHFEGUPBXCOSK-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
(R)-6-Chlorochroman-4-amine
CID 42220764
6-Chlorochroman-4-amine hydrochloride
CID 52988847
5-Chloro-2,3-dihydro-1-benzofuran-3-amine--hydrogen chloride (1/1)
CID 53408125
6-Fluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 66927081
7-Fluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 71432688
4-Fluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 71742121
6-Chloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 71742124
4,6-Difluoro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 75480738
2-Methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 119031462
2-(4-Chloro-2-methylphenoxy)-1-phenylethylamine
CID 10405144
(R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine
CID 11391352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 82716042) is 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2cc(F)c(Cl)cc2C1NOC.
What is the InChIKey of 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IVHFEGUPBXCOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-3-9-11(14-15-2)6-4-7(12)8(13)5-10(6)16-9/h4-5,9,11,14H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 245.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 82716042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).