2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline

C15H17FN2O2 — CID 114936544

IUPAC2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1ccc(OC)nc1
InChIInChI=1S/C15H17FN2O2/c1-3-20-14-8-12(16)5-6-13(14)17-9-11-4-7-15(19-2)18-10-11/h4-8,10,17H,3,9H2,1-2H3
InChIKeyCPHDZIGNGJQZMI-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.24
Rot. Bonds6

About 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline

2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 114936544) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID114936544
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1ccc(OC)nc1
InChIInChI=1S/C15H17FN2O2/c1-3-20-14-8-12(16)5-6-13(14)17-9-11-4-7-15(19-2)18-10-11/h4-8,10,17H,3,9H2,1-2H3
InChIKeyCPHDZIGNGJQZMI-UHFFFAOYSA-N
XLogP3.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
CID 114936575
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 114936544) is 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline is CCOc1cc(F)ccc1NCc1ccc(OC)nc1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is CPHDZIGNGJQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-20-14-8-12(16)5-6-13(14)17-9-11-4-7-15(19-2)18-10-11/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline has a molecular weight of 276.31 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114936544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).