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

C18H18FN3O — CID 95202357

IUPAC[(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ccc2c(c1)c(-c1cc(F)cc3c1O[C@@H](CN)C3)nn2C
InChIInChI=1S/C18H18FN3O/c1-10-3-4-16-14(5-10)17(21-22(16)2)15-8-12(19)6-11-7-13(9-20)23-18(11)15/h3-6,8,13H,7,9,20H2,1-2H3/t13-/m1/s1
InChIKeyYHJUGJRWVCDPON-CYBMUJFWSA-N
MW311.36 g/mol
LogP2.95
Rot. Bonds2

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

[(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95202357) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95202357
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name[(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ccc2c(c1)c(-c1cc(F)cc3c1O[C@@H](CN)C3)nn2C
InChIInChI=1S/C18H18FN3O/c1-10-3-4-16-14(5-10)17(21-22(16)2)15-8-12(19)6-11-7-13(9-20)23-18(11)15/h3-6,8,13H,7,9,20H2,1-2H3/t13-/m1/s1
InChIKeyYHJUGJRWVCDPON-CYBMUJFWSA-N
XLogP2.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95202357) is [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1ccc2c(c1)c(-c1cc(F)cc3c1O[C@@H](CN)C3)nn2C.
What is the InChIKey of [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is YHJUGJRWVCDPON-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-10-3-4-16-14(5-10)17(21-22(16)2)15-8-12(19)6-11-7-13(9-20)23-18(11)15/h3-6,8,13H,7,9,20H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 311.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(1,5-dimethylindazol-3-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95202357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).