2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine

C14H19FN2 — CID 63787034

IUPAC2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(N2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H19FN2/c15-13-8-10(5-6-16)2-4-14(13)17-9-11-1-3-12(17)7-11/h2,4,8,11-12H,1,3,5-7,9,16H2
InChIKeyVWHDDZLFPLWVBT-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.32
Rot. Bonds3

About 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine

2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine (PubChem CID 63787034) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
PubChem CID63787034
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(N2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H19FN2/c15-13-8-10(5-6-16)2-4-14(13)17-9-11-1-3-12(17)7-11/h2,4,8,11-12H,1,3,5-7,9,16H2
InChIKeyVWHDDZLFPLWVBT-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine (CID 63787034) is 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine is NCCc1ccc(N2CC3CCC2C3)c(F)c1.
What is the InChIKey of 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine?
The InChIKey is VWHDDZLFPLWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-13-8-10(5-6-16)2-4-14(13)17-9-11-1-3-12(17)7-11/h2,4,8,11-12H,1,3,5-7,9,16H2.
What are the key properties of 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine?
2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 63787034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).