N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C16H14F2N2O — CID 114730477

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)c1ccncc1F
InChIInChI=1S/C16H14F2N2O/c1-2-20-16(12-5-6-19-9-13(12)18)15-8-10-7-11(17)3-4-14(10)21-15/h3-9,16,20H,2H2,1H3
InChIKeyJREAXZMNUQFGND-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.80
Rot. Bonds4

About N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 114730477) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID114730477
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)c1ccncc1F
InChIInChI=1S/C16H14F2N2O/c1-2-20-16(12-5-6-19-9-13(12)18)15-8-10-7-11(17)3-4-14(10)21-15/h3-9,16,20H,2H2,1H3
InChIKeyJREAXZMNUQFGND-UHFFFAOYSA-N
XLogP3.80
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185873
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105046083
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 114730477) is N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1cc2cc(F)ccc2o1)c1ccncc1F.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is JREAXZMNUQFGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-2-20-16(12-5-6-19-9-13(12)18)15-8-10-7-11(17)3-4-14(10)21-15/h3-9,16,20H,2H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 288.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114730477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).