2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile

C13H15FN2O — CID 113295571

IUPAC2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
SMILESCN(CC1CCCO1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-16(9-12-3-2-6-17-12)11-5-4-10(8-15)13(14)7-11/h4-5,7,12H,2-3,6,9H2,1H3
InChIKeyAHBDMNZMOBPXLL-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.31
Rot. Bonds3

About 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile

2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile (PubChem CID 113295571) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
PubChem CID113295571
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
SMILESCN(CC1CCCO1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-16(9-12-3-2-6-17-12)11-5-4-10(8-15)13(14)7-11/h4-5,7,12H,2-3,6,9H2,1H3
InChIKeyAHBDMNZMOBPXLL-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile 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-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 94198194
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
2-bromo-3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 107533332
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63077663

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile (CID 113295571) is 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile is CN(CC1CCCO1)c1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile?
The InChIKey is AHBDMNZMOBPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16(9-12-3-2-6-17-12)11-5-4-10(8-15)13(14)7-11/h4-5,7,12H,2-3,6,9H2,1H3.
What are the key properties of 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile?
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 113295571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).