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

C17H22FN — CID 62787485

IUPAC8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1cc(F)ccc1C1(N)CC2CC1C1CCCC21
InChIInChI=1S/C17H22FN/c1-10-7-12(18)5-6-15(10)17(19)9-11-8-16(17)14-4-2-3-13(11)14/h5-7,11,13-14,16H,2-4,8-9,19H2,1H3
InChIKeyFNIPPYYXYDXYTH-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.74
Rot. Bonds1

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

8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 62787485) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID62787485
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1cc(F)ccc1C1(N)CC2CC1C1CCCC21
InChIInChI=1S/C17H22FN/c1-10-7-12(18)5-6-15(10)17(19)9-11-8-16(17)14-4-2-3-13(11)14/h5-7,11,13-14,16H,2-4,8-9,19H2,1H3
InChIKeyFNIPPYYXYDXYTH-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 62787485) is 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is Cc1cc(F)ccc1C1(N)CC2CC1C1CCCC21.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is FNIPPYYXYDXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-10-7-12(18)5-6-15(10)17(19)9-11-8-16(17)14-4-2-3-13(11)14/h5-7,11,13-14,16H,2-4,8-9,19H2,1H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 259.37 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 62787485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).