N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine

C18H16FNO — CID 114732131

IUPACN-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1-c1cc2ccccc2o1
InChIInChI=1S/C18H16FNO/c19-16-8-5-12(11-20-14-6-7-14)9-15(16)18-10-13-3-1-2-4-17(13)21-18/h1-5,8-10,14,20H,6-7,11H2
InChIKeyVSFIOFRARMTERE-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.49
Rot. Bonds4

About N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine

N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 114732131) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID114732131
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC NameN-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1-c1cc2ccccc2o1
InChIInChI=1S/C18H16FNO/c19-16-8-5-12(11-20-14-6-7-14)9-15(16)18-10-13-3-1-2-4-17(13)21-18/h1-5,8-10,14,20H,6-7,11H2
InChIKeyVSFIOFRARMTERE-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine (CID 114732131) is N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(CNC2CC2)cc1-c1cc2ccccc2o1.
What is the InChIKey of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is VSFIOFRARMTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-8-5-12(11-20-14-6-7-14)9-15(16)18-10-13-3-1-2-4-17(13)21-18/h1-5,8-10,14,20H,6-7,11H2.
What are the key properties of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 281.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114732131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).