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

C16H18BrF2N — CID 65468321

IUPACN-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(Br)cc(F)c1NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H18BrF2N/c17-9-6-13(18)16(14(19)7-9)20-15-5-8-4-12(15)11-3-1-2-10(8)11/h6-8,10-12,15,20H,1-5H2
InChIKeyXOONRYCXKQDSMY-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.96
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 65468321) has the molecular formula C16H18BrF2N and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID65468321
Molecular FormulaC16H18BrF2N
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(Br)cc(F)c1NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H18BrF2N/c17-9-6-13(18)16(14(19)7-9)20-15-5-8-4-12(15)11-3-1-2-10(8)11/h6-8,10-12,15,20H,1-5H2
InChIKeyXOONRYCXKQDSMY-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 65468321) is N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1cc(Br)cc(F)c1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is XOONRYCXKQDSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2N/c17-9-6-13(18)16(14(19)7-9)20-15-5-8-4-12(15)11-3-1-2-10(8)11/h6-8,10-12,15,20H,1-5H2.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 342.23 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 65468321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).