N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H21BrFN — CID 43433833

IUPACN-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccc(Br)cc1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C17H21BrFN/c18-12-4-5-16(19)11(6-12)9-20-17-8-10-7-15(17)14-3-1-2-13(10)14/h4-6,10,13-15,17,20H,1-3,7-9H2
InChIKeyRGKJJXBCDVVCOS-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.50
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43433833) has the molecular formula C17H21BrFN and a molecular weight of 338.26 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43433833
Molecular FormulaC17H21BrFN
Molecular Weight338.26 g/mol
Exact Mass337.08
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESFc1ccc(Br)cc1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C17H21BrFN/c18-12-4-5-16(19)11(6-12)9-20-17-8-10-7-15(17)14-3-1-2-13(10)14/h4-6,10,13-15,17,20H,1-3,7-9H2
InChIKeyRGKJJXBCDVVCOS-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43433833) is N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Fc1ccc(Br)cc1CNC1CC2CC1C1CCCC21.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is RGKJJXBCDVVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFN/c18-12-4-5-16(19)11(6-12)9-20-17-8-10-7-15(17)14-3-1-2-13(10)14/h4-6,10,13-15,17,20H,1-3,7-9H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 338.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43433833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).