3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline

C15H16F2N2O — CID 99781821

IUPAC3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESC[C@H](Nc1cccc(OCCF)c1)c1ccc(F)cn1
InChIInChI=1S/C15H16F2N2O/c1-11(15-6-5-12(17)10-18-15)19-13-3-2-4-14(9-13)20-8-7-16/h2-6,9-11,19H,7-8H2,1H3/t11-/m0/s1
InChIKeyXDSXZWJNGOVTOY-NSHDSACASA-N
MW278.30 g/mol
LogP3.74
Rot. Bonds6

About 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline

3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline (PubChem CID 99781821) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline
PubChem CID99781821
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline
SMILESC[C@H](Nc1cccc(OCCF)c1)c1ccc(F)cn1
InChIInChI=1S/C15H16F2N2O/c1-11(15-6-5-12(17)10-18-15)19-13-3-2-4-14(9-13)20-8-7-16/h2-6,9-11,19H,7-8H2,1H3/t11-/m0/s1
InChIKeyXDSXZWJNGOVTOY-NSHDSACASA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The IUPAC name of 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline (CID 99781821) is 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline.
What is the SMILES notation for 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The canonical SMILES for 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline is C[C@H](Nc1cccc(OCCF)c1)c1ccc(F)cn1.
What is the InChIKey of 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline?
The InChIKey is XDSXZWJNGOVTOY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-11(15-6-5-12(17)10-18-15)19-13-3-2-4-14(9-13)20-8-7-16/h2-6,9-11,19H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline?
3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline has a molecular weight of 278.30 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]aniline is sourced from PubChem (CID 99781821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).