N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine

C15H16FN3O — CID 114730743

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)c1cncn1C
InChIInChI=1S/C15H16FN3O/c1-3-18-14(12-8-17-9-19(12)2)13-7-10-5-4-6-11(16)15(10)20-13/h4-9,14,18H,3H2,1-2H3
InChIKeyVJSDXTRFMJWIPB-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.00
Rot. Bonds4

About N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine

N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 114730743) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID114730743
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)c1cncn1C
InChIInChI=1S/C15H16FN3O/c1-3-18-14(12-8-17-9-19(12)2)13-7-10-5-4-6-11(16)15(10)20-13/h4-9,14,18H,3H2,1-2H3
InChIKeyVJSDXTRFMJWIPB-UHFFFAOYSA-N
XLogP3.00
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 114730249
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
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-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184686
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 102813247
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105047600
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine (CID 114730743) is N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cc2cccc(F)c2o1)c1cncn1C.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is VJSDXTRFMJWIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-3-18-14(12-8-17-9-19(12)2)13-7-10-5-4-6-11(16)15(10)20-13/h4-9,14,18H,3H2,1-2H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine?
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 273.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114730743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).