[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C18H15FN2O — CID 95219227

IUPAC[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(F)cc(-c3ccc4ccccc4n3)c2O1
InChIInChI=1S/C18H15FN2O/c19-13-7-12-8-14(10-20)22-18(12)15(9-13)17-6-5-11-3-1-2-4-16(11)21-17/h1-7,9,14H,8,10,20H2/t14-/m0/s1
InChIKeyAGTLFFCREGKFPC-AWEZNQCLSA-N
MW294.33 g/mol
LogP3.30
Rot. Bonds2

About [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95219227) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95219227
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(F)cc(-c3ccc4ccccc4n3)c2O1
InChIInChI=1S/C18H15FN2O/c19-13-7-12-8-14(10-20)22-18(12)15(9-13)17-6-5-11-3-1-2-4-16(11)21-17/h1-7,9,14H,8,10,20H2/t14-/m0/s1
InChIKeyAGTLFFCREGKFPC-AWEZNQCLSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95219228
(5-methyl-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56711820
[(2S)-5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125168273
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95208721
[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129385663
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11403470
[5-fluoro-7-(5-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56709019
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92981403

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95219227) is [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@@H]1Cc2cc(F)cc(-c3ccc4ccccc4n3)c2O1.
What is the InChIKey of [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is AGTLFFCREGKFPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-13-7-12-8-14(10-20)22-18(12)15(9-13)17-6-5-11-3-1-2-4-16(11)21-17/h1-7,9,14H,8,10,20H2/t14-/m0/s1.
What are the key properties of [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 294.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).