N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

C17H19FN2O — CID 114745818

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1cccc2c1OCC2
InChIInChI=1S/C17H19FN2O/c1-2-9-19-16(15-7-6-13(18)11-20-15)14-5-3-4-12-8-10-21-17(12)14/h3-7,11,16,19H,2,8-10H2,1H3
InChIKeyOWUQVDZKIILQNP-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.24
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 114745818) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID114745818
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1cccc2c1OCC2
InChIInChI=1S/C17H19FN2O/c1-2-9-19-16(15-7-6-13(18)11-20-15)14-5-3-4-12-8-10-21-17(12)14/h3-7,11,16,19H,2,8-10H2,1H3
InChIKeyOWUQVDZKIILQNP-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]propan-1-amine
CID 114744963
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887
N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114744925
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
N-[3,4-dihydro-2H-chromen-8-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105187275
N-[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745411
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 114745818) is N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cn1)c1cccc2c1OCC2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is OWUQVDZKIILQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-9-19-16(15-7-6-13(18)11-20-15)14-5-3-4-12-8-10-21-17(12)14/h3-7,11,16,19H,2,8-10H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 286.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114745818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).