3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile

C11H14FN3O — CID 66514243

IUPAC3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile
SMILESCN(C)c1ccc([C@@H](N)CO)c(F)c1C#N
InChIInChI=1S/C11H14FN3O/c1-15(2)10-4-3-7(9(14)6-16)11(12)8(10)5-13/h3-4,9,16H,6,14H2,1-2H3/t9-/m0/s1
InChIKeyUVLYTHYUODYIMW-VIFPVBQESA-N
MW223.25 g/mol
LogP0.76
Rot. Bonds3

About 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile

3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile (PubChem CID 66514243) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile
PubChem CID66514243
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile
SMILESCN(C)c1ccc([C@@H](N)CO)c(F)c1C#N
InChIInChI=1S/C11H14FN3O/c1-15(2)10-4-3-7(9(14)6-16)11(12)8(10)5-13/h3-4,9,16H,6,14H2,1-2H3/t9-/m0/s1
InChIKeyUVLYTHYUODYIMW-VIFPVBQESA-N
XLogP0.76
TPSA73.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-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-(1-amino-2-hydroxypropyl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 165344807
3-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-(dimethylamino)-2-fluorobenzonitrile
CID 66511897
3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 141161263
6-amino-3-[(1R)-1-aminopropyl]-2-fluorobenzonitrile
CID 55275072
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzonitrile
CID 130884198
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
3-[(1S)-1-amino-2-hydroxyethyl]-5-fluoro-4-hydroxybenzonitrile
CID 55274982
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
3-amino-4-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 130634446
3-[(1S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-nitroethyl]-6-(dimethylamino)-2-fluorobenzonitrile
CID 6977565
3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile
CID 55275570
(2S)-2-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanol
CID 66515534

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile?
The IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile (CID 66514243) is 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile?
The canonical SMILES for 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile is CN(C)c1ccc([C@@H](N)CO)c(F)c1C#N.
What is the InChIKey of 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile?
The InChIKey is UVLYTHYUODYIMW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14FN3O/c1-15(2)10-4-3-7(9(14)6-16)11(12)8(10)5-13/h3-4,9,16H,6,14H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile?
3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile has a molecular weight of 223.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-hydroxyethyl]-6-(dimethylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 66514243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).