8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H19FN2 — CID 62741066

IUPAC8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(N2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C14H19FN2/c1-9-2-5-14(13(15)6-9)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3
InChIKeyOLFOYUKFXSEJNH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.59
Rot. Bonds1

About 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62741066) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62741066
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(N2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C14H19FN2/c1-9-2-5-14(13(15)6-9)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3
InChIKeyOLFOYUKFXSEJNH-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62741066) is 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(N2C3CCC2CC(N)C3)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OLFOYUKFXSEJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9-2-5-14(13(15)6-9)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3.
What are the key properties of 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62741066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).