3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile

C11H13FN2O — CID 117297397

IUPAC3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
SMILESCNCCc1cc(F)c(OC)c(C#N)c1
InChIInChI=1S/C11H13FN2O/c1-14-4-3-8-5-9(7-13)11(15-2)10(12)6-8/h5-6,14H,3-4H2,1-2H3
InChIKeyXDMPUKOUEUCUNR-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.47
Rot. Bonds4

About 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile

3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile (PubChem CID 117297397) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
PubChem CID117297397
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
SMILESCNCCc1cc(F)c(OC)c(C#N)c1
InChIInChI=1S/C11H13FN2O/c1-14-4-3-8-5-9(7-13)11(15-2)10(12)6-8/h5-6,14H,3-4H2,1-2H3
InChIKeyXDMPUKOUEUCUNR-UHFFFAOYSA-N
XLogP1.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]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

N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
CID 117306682
2-fluoro-5-[[2-(4-methoxyphenyl)ethylamino]methyl]benzonitrile
CID 107880030
5-(3-aminopropyl)-2-methoxy-3-methylbenzonitrile
CID 117292799
3-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117319522
5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile
CID 117294814
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
CID 142475732
2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
CID 83843675
5-(cyanomethyl)-2,3-dimethoxybenzonitrile
CID 117290768
2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
CID 117343656

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile?
The IUPAC name of 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile (CID 117297397) is 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile?
The canonical SMILES for 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile is CNCCc1cc(F)c(OC)c(C#N)c1.
What is the InChIKey of 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile?
The InChIKey is XDMPUKOUEUCUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14-4-3-8-5-9(7-13)11(15-2)10(12)6-8/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile?
3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile has a molecular weight of 208.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile is sourced from PubChem (CID 117297397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).