N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine

C19H20FNO — CID 11380959

IUPACN-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
SMILESFc1cc2c(c(-c3ccccc3)c1)OC(CNC1CCC1)C2
InChIInChI=1S/C19H20FNO/c20-15-9-14-10-17(12-21-16-7-4-8-16)22-19(14)18(11-15)13-5-2-1-3-6-13/h1-3,5-6,9,11,16-17,21H,4,7-8,10,12H2
InChIKeyJZZXEEASVQIPNC-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.94
Rot. Bonds4

About N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine

N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine (PubChem CID 11380959) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
PubChem CID11380959
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC NameN-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
SMILESFc1cc2c(c(-c3ccccc3)c1)OC(CNC1CCC1)C2
InChIInChI=1S/C19H20FNO/c20-15-9-14-10-17(12-21-16-7-4-8-16)22-19(14)18(11-15)13-5-2-1-3-6-13/h1-3,5-6,9,11,16-17,21H,4,7-8,10,12H2
InChIKeyJZZXEEASVQIPNC-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine (CID 11380959) is N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine is Fc1cc2c(c(-c3ccccc3)c1)OC(CNC1CCC1)C2.
What is the InChIKey of N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
The InChIKey is JZZXEEASVQIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-15-9-14-10-17(12-21-16-7-4-8-16)22-19(14)18(11-15)13-5-2-1-3-6-13/h1-3,5-6,9,11,16-17,21H,4,7-8,10,12H2.
What are the key properties of N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine?
N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine has a molecular weight of 297.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 11380959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).