N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine

C15H21FN2 — CID 83119895

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCC1CC2CCC1C2)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2/c1-10(15-5-4-14(16)9-18-15)17-8-13-7-11-2-3-12(13)6-11/h4-5,9-13,17H,2-3,6-8H2,1H3
InChIKeyVRGUPTYRDCYUQV-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.31
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 83119895) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID83119895
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCC1CC2CCC1C2)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2/c1-10(15-5-4-14(16)9-18-15)17-8-13-7-11-2-3-12(13)6-11/h4-5,9-13,17H,2-3,6-8H2,1H3
InChIKeyVRGUPTYRDCYUQV-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 83119895) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine is CC(NCC1CC2CCC1C2)c1ccc(F)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is VRGUPTYRDCYUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10(15-5-4-14(16)9-18-15)17-8-13-7-11-2-3-12(13)6-11/h4-5,9-13,17H,2-3,6-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 248.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 83119895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).