2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile

C15H21FN2O — CID 103760655

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile
SMILESCCC(C)N(CCOC)Cc1cc(F)ccc1C#N
InChIInChI=1S/C15H21FN2O/c1-4-12(2)18(7-8-19-3)11-14-9-15(16)6-5-13(14)10-17/h5-6,9,12H,4,7-8,11H2,1-3H3
InChIKeyZALXEIFHKVZWEA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.94
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile (PubChem CID 103760655) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile
PubChem CID103760655
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile
SMILESCCC(C)N(CCOC)Cc1cc(F)ccc1C#N
InChIInChI=1S/C15H21FN2O/c1-4-12(2)18(7-8-19-3)11-14-9-15(16)6-5-13(14)10-17/h5-6,9,12H,4,7-8,11H2,1-3H3
InChIKeyZALXEIFHKVZWEA-UHFFFAOYSA-N
XLogP2.94
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-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

4-fluoro-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzonitrile
CID 103760660
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
4-fluoro-2-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 103760781
2-[[benzyl(propan-2-yl)amino]methyl]-4-fluorobenzonitrile
CID 103760606
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzoic acid
CID 63075063
4-[(2-cyano-5-fluorophenyl)methyl-propan-2-ylamino]butanoic acid
CID 64768912
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775
4-fluoro-2-(propan-2-yloxymethyl)benzonitrile
CID 107903297
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760632

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile (CID 103760655) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile is CCC(C)N(CCOC)Cc1cc(F)ccc1C#N.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile?
The InChIKey is ZALXEIFHKVZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-12(2)18(7-8-19-3)11-14-9-15(16)6-5-13(14)10-17/h5-6,9,12H,4,7-8,11H2,1-3H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile has a molecular weight of 264.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 103760655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).