[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C14H14FN3O — CID 56721337

IUPAC[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3ncc(F)cn3)c1)OC(CN)C2
InChIInChI=1S/C14H14FN3O/c1-8-2-9-4-11(5-16)19-13(9)12(3-8)14-17-6-10(15)7-18-14/h2-3,6-7,11H,4-5,16H2,1H3
InChIKeyUNXLOUUENRETMI-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.85
Rot. Bonds2

About [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56721337) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56721337
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3ncc(F)cn3)c1)OC(CN)C2
InChIInChI=1S/C14H14FN3O/c1-8-2-9-4-11(5-16)19-13(9)12(3-8)14-17-6-10(15)7-18-14/h2-3,6-7,11H,4-5,16H2,1H3
InChIKeyUNXLOUUENRETMI-UHFFFAOYSA-N
XLogP1.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile
CID 56706700
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56707530
[(2R)-5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95206107
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
(5-methyl-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56711820
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide
CID 95208143

Frequently Asked Questions

What is the IUPAC name of [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56721337) is [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cc2c(c(-c3ncc(F)cn3)c1)OC(CN)C2.
What is the InChIKey of [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is UNXLOUUENRETMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-2-9-4-11(5-16)19-13(9)12(3-8)14-17-6-10(15)7-18-14/h2-3,6-7,11H,4-5,16H2,1H3.
What are the key properties of [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 259.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56721337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).