4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile

C12H15FN2O — CID 61447013

IUPAC4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
SMILESCCN(CCOC)c1ccc(C#N)cc1F
InChIInChI=1S/C12H15FN2O/c1-3-15(6-7-16-2)12-5-4-10(9-14)8-11(12)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyQTSYDWCXSUQNKO-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.17
Rot. Bonds5

About 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile

4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile (PubChem CID 61447013) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
PubChem CID61447013
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
SMILESCCN(CCOC)c1ccc(C#N)cc1F
InChIInChI=1S/C12H15FN2O/c1-3-15(6-7-16-2)12-5-4-10(9-14)8-11(12)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyQTSYDWCXSUQNKO-UHFFFAOYSA-N
XLogP2.17
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 55004953
4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile
CID 61418646
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 55002927
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 82796865
ethyl 2-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]acetate
CID 82798516
3-fluoro-4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzonitrile
CID 62843294
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
The IUPAC name of 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile (CID 61447013) is 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
The canonical SMILES for 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile is CCN(CCOC)c1ccc(C#N)cc1F.
What is the InChIKey of 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
The InChIKey is QTSYDWCXSUQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-15(6-7-16-2)12-5-4-10(9-14)8-11(12)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile?
4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile has a molecular weight of 222.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile is sourced from PubChem (CID 61447013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).