2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile

C18H19FN2O3 — CID 60506041

IUPAC2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile
SMILESCOc1cc(C(C)Nc2cccc(F)c2C#N)ccc1OCCO
InChIInChI=1S/C18H19FN2O3/c1-12(21-16-5-3-4-15(19)14(16)11-20)13-6-7-17(24-9-8-22)18(10-13)23-2/h3-7,10,12,21-22H,8-9H2,1-2H3
InChIKeyWMFNEVFMLGDOEG-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.25
Rot. Bonds7

About 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile

2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile (PubChem CID 60506041) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile
PubChem CID60506041
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile
SMILESCOc1cc(C(C)Nc2cccc(F)c2C#N)ccc1OCCO
InChIInChI=1S/C18H19FN2O3/c1-12(21-16-5-3-4-15(19)14(16)11-20)13-6-7-17(24-9-8-22)18(10-13)23-2/h3-7,10,12,21-22H,8-9H2,1-2H3
InChIKeyWMFNEVFMLGDOEG-UHFFFAOYSA-N
XLogP3.25
TPSA74.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]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

3-fluoro-4-[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]benzonitrile
CID 94824324
2-fluoro-6-[1-(2-methoxyphenyl)ethylamino]benzonitrile
CID 43398727
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
2-[4-[1-(4-chloro-2-nitroanilino)ethyl]-2-methoxyphenoxy]ethanol
CID 60506217
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415
2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
CID 43580283
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile (CID 60506041) is 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile is COc1cc(C(C)Nc2cccc(F)c2C#N)ccc1OCCO.
What is the InChIKey of 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile?
The InChIKey is WMFNEVFMLGDOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(21-16-5-3-4-15(19)14(16)11-20)13-6-7-17(24-9-8-22)18(10-13)23-2/h3-7,10,12,21-22H,8-9H2,1-2H3.
What are the key properties of 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile?
2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile has a molecular weight of 330.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethylamino]benzonitrile is sourced from PubChem (CID 60506041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).