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

C16H19BrFN — CID 43503159

IUPACN-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(Br)ccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H19BrFN/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
InChIKeyUPOUCLBQLKHFAU-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.82
Rot. Bonds2

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

N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503159) has the molecular formula C16H19BrFN and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503159
Molecular FormulaC16H19BrFN
Molecular Weight324.24 g/mol
Exact Mass323.07
IUPAC NameN-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1cc(Br)ccc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C16H19BrFN/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
InChIKeyUPOUCLBQLKHFAU-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.82
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-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503159) is N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is Fc1cc(Br)ccc1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is UPOUCLBQLKHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN/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-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(4-bromo-2-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 324.24 g/mol, XLogP of 4.82, 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-fluorophenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).