1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine

C20H23FN2O2 — CID 56797295

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine
SMILESFc1cc(CNCc2ccc3c(c2)CCO3)ccc1N1CCOCC1
InChIInChI=1S/C20H23FN2O2/c21-18-12-16(1-3-19(18)23-6-9-24-10-7-23)14-22-13-15-2-4-20-17(11-15)5-8-25-20/h1-4,11-12,22H,5-10,13-14H2
InChIKeyTUMQAMHUHZHFMY-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine (PubChem CID 56797295) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine
PubChem CID56797295
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine
SMILESFc1cc(CNCc2ccc3c(c2)CCO3)ccc1N1CCOCC1
InChIInChI=1S/C20H23FN2O2/c21-18-12-16(1-3-19(18)23-6-9-24-10-7-23)14-22-13-15-2-4-20-17(11-15)5-8-25-20/h1-4,11-12,22H,5-10,13-14H2
InChIKeyTUMQAMHUHZHFMY-UHFFFAOYSA-N
XLogP2.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine (CID 56797295) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine is Fc1cc(CNCc2ccc3c(c2)CCO3)ccc1N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine?
The InChIKey is TUMQAMHUHZHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-12-16(1-3-19(18)23-6-9-24-10-7-23)14-22-13-15-2-4-20-17(11-15)5-8-25-20/h1-4,11-12,22H,5-10,13-14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine has a molecular weight of 342.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]methanamine is sourced from PubChem (CID 56797295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).