(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C16H15FN2O — CID 114730701

IUPAC(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCc1cccnc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H15FN2O/c1-2-10-4-3-7-19-16(10)15(18)14-9-11-8-12(17)5-6-13(11)20-14/h3-9,15H,2,18H2,1H3
InChIKeyPRMHNHZWBRXAAO-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.58
Rot. Bonds3

About (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 114730701) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID114730701
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCc1cccnc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H15FN2O/c1-2-10-4-3-7-19-16(10)15(18)14-9-11-8-12(17)5-6-13(11)20-14/h3-9,15H,2,18H2,1H3
InChIKeyPRMHNHZWBRXAAO-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82730897
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
2-(2-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728213
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 114730701) is (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is CCc1cccnc1C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is PRMHNHZWBRXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-10-4-3-7-19-16(10)15(18)14-9-11-8-12(17)5-6-13(11)20-14/h3-9,15H,2,18H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 270.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114730701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).