N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine

C19H24FNO — CID 4723489

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
SMILESFc1ccccc1-c1ccc(CNC2CCCCCCC2)o1
InChIInChI=1S/C19H24FNO/c20-18-11-7-6-10-17(18)19-13-12-16(22-19)14-21-15-8-4-2-1-3-5-9-15/h6-7,10-13,15,21H,1-5,8-9,14H2
InChIKeyVPYPEWNWJROGDG-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.29
Rot. Bonds4

About N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine (PubChem CID 4723489) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
PubChem CID4723489
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
SMILESFc1ccccc1-c1ccc(CNC2CCCCCCC2)o1
InChIInChI=1S/C19H24FNO/c20-18-11-7-6-10-17(18)19-13-12-16(22-19)14-21-15-8-4-2-1-3-5-9-15/h6-7,10-13,15,21H,1-5,8-9,14H2
InChIKeyVPYPEWNWJROGDG-UHFFFAOYSA-N
XLogP5.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine (CID 4723489) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine is Fc1ccccc1-c1ccc(CNC2CCCCCCC2)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine?
The InChIKey is VPYPEWNWJROGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c20-18-11-7-6-10-17(18)19-13-12-16(22-19)14-21-15-8-4-2-1-3-5-9-15/h6-7,10-13,15,21H,1-5,8-9,14H2.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine?
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine has a molecular weight of 301.40 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine is sourced from PubChem (CID 4723489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).