8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C18H24FN — CID 106880624

IUPAC8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1cc(C)c(C2(N)CC3CC2C2CCCC32)c(F)c1
InChIInChI=1S/C18H24FN/c1-10-6-11(2)17(16(19)7-10)18(20)9-12-8-15(18)14-5-3-4-13(12)14/h6-7,12-15H,3-5,8-9,20H2,1-2H3
InChIKeyITHDWUUOGNVUNZ-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.05
Rot. Bonds1

About 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 106880624) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID106880624
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC Name8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1cc(C)c(C2(N)CC3CC2C2CCCC32)c(F)c1
InChIInChI=1S/C18H24FN/c1-10-6-11(2)17(16(19)7-10)18(20)9-12-8-15(18)14-5-3-4-13(12)14/h6-7,12-15H,3-5,8-9,20H2,1-2H3
InChIKeyITHDWUUOGNVUNZ-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 106880624) is 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is Cc1cc(C)c(C2(N)CC3CC2C2CCCC32)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ITHDWUUOGNVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-10-6-11(2)17(16(19)7-10)18(20)9-12-8-15(18)14-5-3-4-13(12)14/h6-7,12-15H,3-5,8-9,20H2,1-2H3.
What are the key properties of 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 273.39 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 106880624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).