2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

C16H20FNO — CID 105151601

IUPAC2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H20FNO/c1-10-13-9-12(17)6-7-15(13)19-16(10)14(18-2)8-11-4-3-5-11/h6-7,9,11,14,18H,3-5,8H2,1-2H3
InChIKeyFHINEHBYKOKFRY-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.33
Rot. Bonds4

About 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine

2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 105151601) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID105151601
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H20FNO/c1-10-13-9-12(17)6-7-15(13)19-16(10)14(18-2)8-11-4-3-5-11/h6-7,9,11,14,18H,3-5,8H2,1-2H3
InChIKeyFHINEHBYKOKFRY-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
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)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105113810
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
CID 105298446

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 105151601) is 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(CC1CCC1)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is FHINEHBYKOKFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-13-9-12(17)6-7-15(13)19-16(10)14(18-2)8-11-4-3-5-11/h6-7,9,11,14,18H,3-5,8H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 261.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 105151601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).