1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C16H18FN3O — CID 105113810

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H18FN3O/c1-10-13-7-12(17)4-5-15(13)21-16(10)14(18-2)6-11-8-19-20(3)9-11/h4-5,7-9,14,18H,6H2,1-3H3
InChIKeyBHRZQMZRBPAGKE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.12
Rot. Bonds4

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 105113810) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID105113810
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H18FN3O/c1-10-13-7-12(17)4-5-15(13)21-16(10)14(18-2)6-11-8-19-20(3)9-11/h4-5,7-9,14,18H,6H2,1-3H3
InChIKeyBHRZQMZRBPAGKE-UHFFFAOYSA-N
XLogP3.12
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996
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-1-(2-methylpyrazol-3-yl)methanamine
CID 105148590
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316414
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
CID 105160602
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 105113810) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CNC(Cc1cnn(C)c1)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is BHRZQMZRBPAGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-13-7-12(17)4-5-15(13)21-16(10)14(18-2)6-11-8-19-20(3)9-11/h4-5,7-9,14,18H,6H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 287.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105113810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).