2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine

C12H16FNO2 — CID 107659849

IUPAC2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2c(ccc(C)c2F)C1NOC
InChIInChI=1S/C12H16FNO2/c1-4-9-11(14-15-3)8-6-5-7(2)10(13)12(8)16-9/h5-6,9,11,14H,4H2,1-3H3
InChIKeyIYWBEPKIXZADPW-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.50
Rot. Bonds3

About 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107659849) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107659849
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2c(ccc(C)c2F)C1NOC
InChIInChI=1S/C12H16FNO2/c1-4-9-11(14-15-3)8-6-5-7(2)10(13)12(8)16-9/h5-6,9,11,14H,4H2,1-3H3
InChIKeyIYWBEPKIXZADPW-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.50
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-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81482112
7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049513
2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482053
7-tert-butyl-2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480123
7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480868
7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049829
N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049623
5-ethyl-N,7-dimethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667287
2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663645
2-ethyl-N-methoxy-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 81480528
5-chloro-2-ethyl-N-methoxy-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482097
N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048808

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 107659849) is 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2c(ccc(C)c2F)C1NOC.
What is the InChIKey of 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IYWBEPKIXZADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-9-11(14-15-3)8-6-5-7(2)10(13)12(8)16-9/h5-6,9,11,14H,4H2,1-3H3.
What are the key properties of 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 225.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107659849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).