2-amino-6-[(2R)-2-aminopropoxy]benzonitrile

C10H13N3O — CID 66746385

IUPAC2-amino-6-[(2R)-2-aminopropoxy]benzonitrile
SMILESC[C@@H](N)COc1cccc(N)c1C#N
InChIInChI=1S/C10H13N3O/c1-7(12)6-14-10-4-2-3-9(13)8(10)5-11/h2-4,7H,6,12-13H2,1H3/t7-/m1/s1
InChIKeyUTXAUTGAOSCKLG-SSDOTTSWSA-N
MW191.23 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile

2-amino-6-[(2R)-2-aminopropoxy]benzonitrile (PubChem CID 66746385) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile.

Molecular Properties

Compound Name2-amino-6-[(2R)-2-aminopropoxy]benzonitrile
PubChem CID66746385
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-6-[(2R)-2-aminopropoxy]benzonitrile
SMILESC[C@@H](N)COc1cccc(N)c1C#N
InChIInChI=1S/C10H13N3O/c1-7(12)6-14-10-4-2-3-9(13)8(10)5-11/h2-4,7H,6,12-13H2,1H3/t7-/m1/s1
InChIKeyUTXAUTGAOSCKLG-SSDOTTSWSA-N
XLogP0.87
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6-[(2R)-2-aminopropoxy]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

2-amino-6-[(2R)-2-aminobutoxy]benzonitrile
CID 69055287
2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile
CID 67399827
2-[(3-amino-2-cyanophenoxy)methyl]prop-2-enyl acetate
CID 67400011
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propan-2-ylpropanamide;3-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 158310989
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2,6-diethoxybenzonitrile
CID 3018118
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
2-amino-6-[4-[5-butylnonan-5-yl(methyl)silyl]oxybutoxy]benzonitrile
CID 150024965
2-amino-6-sulfanylbenzonitrile
CID 91873913
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide
CID 46833662
[1-[(3-amino-2-cyanophenoxy)methyl]cyclohexyl]methyl acetate
CID 66746462

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile?
The IUPAC name of 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile (CID 66746385) is 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile.
What is the SMILES notation for 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile?
The canonical SMILES for 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile is C[C@@H](N)COc1cccc(N)c1C#N.
What is the InChIKey of 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile?
The InChIKey is UTXAUTGAOSCKLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(12)6-14-10-4-2-3-9(13)8(10)5-11/h2-4,7H,6,12-13H2,1H3/t7-/m1/s1.
What are the key properties of 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile?
2-amino-6-[(2R)-2-aminopropoxy]benzonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2R)-2-aminopropoxy]benzonitrile is sourced from PubChem (CID 66746385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).