[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine

C15H21FN2 — CID 68931831

IUPAC[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine
SMILESCN1C2CCC1C(CN)C(c1ccc(F)cc1)C2
InChIInChI=1S/C15H21FN2/c1-18-12-6-7-15(18)14(9-17)13(8-12)10-2-4-11(16)5-3-10/h2-5,12-15H,6-9,17H2,1H3
InChIKeyBLWDCHWNWSRWCV-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.35
Rot. Bonds2

About [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine

[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine (PubChem CID 68931831) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine
PubChem CID68931831
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine
SMILESCN1C2CCC1C(CN)C(c1ccc(F)cc1)C2
InChIInChI=1S/C15H21FN2/c1-18-12-6-7-15(18)14(9-17)13(8-12)10-2-4-11(16)5-3-10/h2-5,12-15H,6-9,17H2,1H3
InChIKeyBLWDCHWNWSRWCV-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine (CID 68931831) is [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine is CN1C2CCC1C(CN)C(c1ccc(F)cc1)C2.
What is the InChIKey of [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
The InChIKey is BLWDCHWNWSRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-18-12-6-7-15(18)14(9-17)13(8-12)10-2-4-11(16)5-3-10/h2-5,12-15H,6-9,17H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine has a molecular weight of 248.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanamine is sourced from PubChem (CID 68931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).