N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H20FN — CID 43503180

IUPACN-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cccc(NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C16H20FN/c17-11-3-1-4-12(9-11)18-16-8-10-7-15(16)14-6-2-5-13(10)14/h1,3-4,9-10,13-16,18H,2,5-8H2
InChIKeyIRYUETFBVUOHSC-UHFFFAOYSA-N
MW245.34 g/mol
LogP4.06
Rot. Bonds2

About N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503180) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503180
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC NameN-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cccc(NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C16H20FN/c17-11-3-1-4-12(9-11)18-16-8-10-7-15(16)14-6-2-5-13(10)14/h1,3-4,9-10,13-16,18H,2,5-8H2
InChIKeyIRYUETFBVUOHSC-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine 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-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503180) is N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1cccc(NC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is IRYUETFBVUOHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c17-11-3-1-4-12(9-11)18-16-8-10-7-15(16)14-6-2-5-13(10)14/h1,3-4,9-10,13-16,18H,2,5-8H2.
What are the key properties of N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 245.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).