N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C13H17FN2O — CID 103788624

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1O2)c1cncc(F)c1
InChIInChI=1S/C13H17FN2O/c1-8(9-4-10(14)7-15-6-9)16-12-5-11-2-3-13(12)17-11/h4,6-8,11-13,16H,2-3,5H2,1H3
InChIKeyCLMLOXXSBFHQNU-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.19
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 103788624) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID103788624
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1O2)c1cncc(F)c1
InChIInChI=1S/C13H17FN2O/c1-8(9-4-10(14)7-15-6-9)16-12-5-11-2-3-13(12)17-11/h4,6-8,11-13,16H,2-3,5H2,1H3
InChIKeyCLMLOXXSBFHQNU-UHFFFAOYSA-N
XLogP2.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
CID 103775342
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-oxothian-4-amine
CID 114080574
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777362
2-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711100
3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 103907148
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103788436
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 103776178
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 103788624) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1O2)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is CLMLOXXSBFHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(9-4-10(14)7-15-6-9)16-12-5-11-2-3-13(12)17-11/h4,6-8,11-13,16H,2-3,5H2,1H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 236.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103788624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).