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

C17H22FN — CID 55028623

IUPAC8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2cccc(F)c2)CC2CC1C1CCCC21
InChIInChI=1S/C17H22FN/c18-13-4-1-3-11(7-13)9-17(19)10-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-16H,2,5-6,8-10,19H2
InChIKeyQWNQDDRQZWCZQP-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.52
Rot. Bonds2

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

8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 55028623) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID55028623
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2cccc(F)c2)CC2CC1C1CCCC21
InChIInChI=1S/C17H22FN/c18-13-4-1-3-11(7-13)9-17(19)10-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-16H,2,5-6,8-10,19H2
InChIKeyQWNQDDRQZWCZQP-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 55028623) is 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is NC1(Cc2cccc(F)c2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is QWNQDDRQZWCZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c18-13-4-1-3-11(7-13)9-17(19)10-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-16H,2,5-6,8-10,19H2.
What are the key properties of 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 259.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 55028623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).