N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine

C15H20FNO — CID 105080133

IUPACN-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(NCC)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H20FNO/c1-4-6-13(17-5-2)15-10(3)12-9-11(16)7-8-14(12)18-15/h7-9,13,17H,4-6H2,1-3H3
InChIKeySNAHIPDZTHWZPW-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.33
Rot. Bonds5

About N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine

N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 105080133) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID105080133
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(NCC)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H20FNO/c1-4-6-13(17-5-2)15-10(3)12-9-11(16)7-8-14(12)18-15/h7-9,13,17H,4-6H2,1-3H3
InChIKeySNAHIPDZTHWZPW-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-yn-1-amine
CID 105077210
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
CID 105129790
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163861
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
CID 105298446
N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105173343
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine (CID 105080133) is N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine is CCCC(NCC)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is SNAHIPDZTHWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-4-6-13(17-5-2)15-10(3)12-9-11(16)7-8-14(12)18-15/h7-9,13,17H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine?
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 105080133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).