8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H21BrFN — CID 79699258

IUPAC8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CC2CC1C1CCCC21
InChIInChI=1S/C17H21BrFN/c18-12-4-10(5-13(19)7-12)8-17(20)9-11-6-16(17)15-3-1-2-14(11)15/h4-5,7,11,14-16H,1-3,6,8-9,20H2
InChIKeyXFBBSMRCOPEHAM-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.28
Rot. Bonds2

About 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 79699258) has the molecular formula C17H21BrFN and a molecular weight of 338.26 g/mol. Its IUPAC name is 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID79699258
Molecular FormulaC17H21BrFN
Molecular Weight338.26 g/mol
Exact Mass337.08
IUPAC Name8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CC2CC1C1CCCC21
InChIInChI=1S/C17H21BrFN/c18-12-4-10(5-13(19)7-12)8-17(20)9-11-6-16(17)15-3-1-2-14(11)15/h4-5,7,11,14-16H,1-3,6,8-9,20H2
InChIKeyXFBBSMRCOPEHAM-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 79699258) is 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is NC1(Cc2cc(F)cc(Br)c2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is XFBBSMRCOPEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFN/c18-12-4-10(5-13(19)7-12)8-17(20)9-11-6-16(17)15-3-1-2-14(11)15/h4-5,7,11,14-16H,1-3,6,8-9,20H2.
What are the key properties of 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 338.26 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 79699258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).