3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile

C14H19FN2O2 — CID 55004953

IUPAC3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
SMILESCOCCN(c1ccc(C#N)cc1F)C(C)COC
InChIInChI=1S/C14H19FN2O2/c1-11(10-19-3)17(6-7-18-2)14-5-4-12(9-16)8-13(14)15/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyARLUECOZNDKJNG-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.19
Rot. Bonds7

About 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile

3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile (PubChem CID 55004953) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
PubChem CID55004953
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
SMILESCOCCN(c1ccc(C#N)cc1F)C(C)COC
InChIInChI=1S/C14H19FN2O2/c1-11(10-19-3)17(6-7-18-2)14-5-4-12(9-16)8-13(14)15/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyARLUECOZNDKJNG-UHFFFAOYSA-N
XLogP2.19
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 55002927
4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 61447013
4-(chloromethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005281
3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 82796865
4-(bromomethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082042
[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005430
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82948890
3-fluoro-4-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 61146675
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
The IUPAC name of 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile (CID 55004953) is 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
The canonical SMILES for 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile is COCCN(c1ccc(C#N)cc1F)C(C)COC.
What is the InChIKey of 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
The InChIKey is ARLUECOZNDKJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-11(10-19-3)17(6-7-18-2)14-5-4-12(9-16)8-13(14)15/h4-5,8,11H,6-7,10H2,1-3H3.
What are the key properties of 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile has a molecular weight of 266.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile is sourced from PubChem (CID 55004953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).