N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

C16H19F2N — CID 43503190

IUPACN-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccc(NC2CC3CC2C2CCCC32)c(F)c1
InChIInChI=1S/C16H19F2N/c17-10-4-5-15(14(18)8-10)19-16-7-9-6-13(16)12-3-1-2-11(9)12/h4-5,8-9,11-13,16,19H,1-3,6-7H2
InChIKeyCCILJSFPEAXXIH-UHFFFAOYSA-N
MW263.33 g/mol
LogP4.20
Rot. Bonds2

About N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503190) has the molecular formula C16H19F2N and a molecular weight of 263.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503190
Molecular FormulaC16H19F2N
Molecular Weight263.33 g/mol
Exact Mass263.15
IUPAC NameN-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccc(NC2CC3CC2C2CCCC32)c(F)c1
InChIInChI=1S/C16H19F2N/c17-10-4-5-15(14(18)8-10)19-16-7-9-6-13(16)12-3-1-2-11(9)12/h4-5,8-9,11-13,16,19H,1-3,6-7H2
InChIKeyCCILJSFPEAXXIH-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503190) is N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1ccc(NC2CC3CC2C2CCCC32)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is CCILJSFPEAXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N/c17-10-4-5-15(14(18)8-10)19-16-7-9-6-13(16)12-3-1-2-11(9)12/h4-5,8-9,11-13,16,19H,1-3,6-7H2.
What are the key properties of N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 263.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).