N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H20FN — CID 43503188

IUPACN-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H20FN/c17-14-6-1-2-7-15(14)18-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16,18H,3-5,8-9H2
InChIKeyDZIIKZKPSAGZOY-UHFFFAOYSA-N
MW245.34 g/mol
LogP4.06
Rot. Bonds2

About N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503188) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503188
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC NameN-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H20FN/c17-14-6-1-2-7-15(14)18-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16,18H,3-5,8-9H2
InChIKeyDZIIKZKPSAGZOY-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503188) is N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1ccccc1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is DZIIKZKPSAGZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c17-14-6-1-2-7-15(14)18-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16,18H,3-5,8-9H2.
What are the key properties of N-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2-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-(2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).