N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine

C17H17FN2O — CID 114728628

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H17FN2O/c1-3-19-16(14-9-11(2)7-8-20-14)15-10-12-5-4-6-13(18)17(12)21-15/h4-10,16,19H,3H2,1-2H3
InChIKeyMKNWGAIQGKFJIQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.97
Rot. Bonds4

About N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine

N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 114728628) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID114728628
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H17FN2O/c1-3-19-16(14-9-11(2)7-8-20-14)15-10-12-5-4-6-13(18)17(12)21-15/h4-10,16,19H,3H2,1-2H3
InChIKeyMKNWGAIQGKFJIQ-UHFFFAOYSA-N
XLogP3.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114728621
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677
N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 114730249
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114730743
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63840403
N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 107969207
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105047600

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine (CID 114728628) is N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1cc(C)ccn1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is MKNWGAIQGKFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-3-19-16(14-9-11(2)7-8-20-14)15-10-12-5-4-6-13(18)17(12)21-15/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 284.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114728628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).