1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine

C20H23FN2O — CID 78860744

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine
SMILESFc1cccc(N2CCCC2)c1CNCC1Cc2ccccc2O1
InChIInChI=1S/C20H23FN2O/c21-18-7-5-8-19(23-10-3-4-11-23)17(18)14-22-13-16-12-15-6-1-2-9-20(15)24-16/h1-2,5-9,16,22H,3-4,10-14H2
InChIKeySXQOXVIXMVHUBP-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.52
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine (PubChem CID 78860744) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine
PubChem CID78860744
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine
SMILESFc1cccc(N2CCCC2)c1CNCC1Cc2ccccc2O1
InChIInChI=1S/C20H23FN2O/c21-18-7-5-8-19(23-10-3-4-11-23)17(18)14-22-13-16-12-15-6-1-2-9-20(15)24-16/h1-2,5-9,16,22H,3-4,10-14H2
InChIKeySXQOXVIXMVHUBP-UHFFFAOYSA-N
XLogP3.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371585
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-fluorobenzoic acid
CID 79517954
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine (CID 78860744) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine is Fc1cccc(N2CCCC2)c1CNCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine?
The InChIKey is SXQOXVIXMVHUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-18-7-5-8-19(23-10-3-4-11-23)17(18)14-22-13-16-12-15-6-1-2-9-20(15)24-16/h1-2,5-9,16,22H,3-4,10-14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine has a molecular weight of 326.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 78860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).