6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine

C17H17FN2O2 — CID 133291964

IUPAC6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
SMILESCOc1ccc2oc(C(C)Nc3cccc(F)n3)c(C)c2c1
InChIInChI=1S/C17H17FN2O2/c1-10-13-9-12(21-3)7-8-14(13)22-17(10)11(2)19-16-6-4-5-15(18)20-16/h4-9,11H,1-3H3,(H,19,20)
InChIKeyRRNJAVOJKDZLEI-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.46
Rot. Bonds4

About 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine

6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine (PubChem CID 133291964) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
PubChem CID133291964
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
SMILESCOc1ccc2oc(C(C)Nc3cccc(F)n3)c(C)c2c1
InChIInChI=1S/C17H17FN2O2/c1-10-13-9-12(21-3)7-8-14(13)22-17(10)11(2)19-16-6-4-5-15(18)20-16/h4-9,11H,1-3H3,(H,19,20)
InChIKeyRRNJAVOJKDZLEI-UHFFFAOYSA-N
XLogP4.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
CID 133291938
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954
4-chloro-5-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 133291939
(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353548
(1R)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353550
2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine
CID 75504801
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
CID 75477505
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine (CID 133291964) is 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine is COc1ccc2oc(C(C)Nc3cccc(F)n3)c(C)c2c1.
What is the InChIKey of 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
The InChIKey is RRNJAVOJKDZLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-10-13-9-12(21-3)7-8-14(13)22-17(10)11(2)19-16-6-4-5-15(18)20-16/h4-9,11H,1-3H3,(H,19,20).
What are the key properties of 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine?
6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine has a molecular weight of 300.33 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133291964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).