2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile

C11H14N2O2 — CID 104717253

IUPAC2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile
SMILESCOCC(C)Oc1cccc(C#N)c1N
InChIInChI=1S/C11H14N2O2/c1-8(7-14-2)15-10-5-3-4-9(6-12)11(10)13/h3-5,8H,7,13H2,1-2H3
InChIKeyUZTQPLRJOXWFFC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile

2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile (PubChem CID 104717253) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile
PubChem CID104717253
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile
SMILESCOCC(C)Oc1cccc(C#N)c1N
InChIInChI=1S/C11H14N2O2/c1-8(7-14-2)15-10-5-3-4-9(6-12)11(10)13/h3-5,8H,7,13H2,1-2H3
InChIKeyUZTQPLRJOXWFFC-UHFFFAOYSA-N
XLogP1.55
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(1-methoxypropan-2-yloxy)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-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
2-amino-3-ethoxybenzonitrile
CID 82014474
2-amino-3-pentoxybenzonitrile
CID 104717212
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-amino-3-(3,5-dimethoxyphenoxy)benzonitrile
CID 104717214
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]benzonitrile
CID 104716802
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]benzonitrile
CID 107466948
2-(1-cyanoethoxy)benzonitrile
CID 60644293
2-amino-3-(2,3,5-trimethylphenoxy)benzonitrile
CID 104717183
methyl 3-(2-cyanophenoxy)butanoate
CID 43536058
2-amino-3-[ethyl(2-methoxyethyl)amino]benzonitrile
CID 104716449
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile?
The IUPAC name of 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile (CID 104717253) is 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile.
What is the SMILES notation for 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile?
The canonical SMILES for 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile is COCC(C)Oc1cccc(C#N)c1N.
What is the InChIKey of 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile?
The InChIKey is UZTQPLRJOXWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(7-14-2)15-10-5-3-4-9(6-12)11(10)13/h3-5,8H,7,13H2,1-2H3.
What are the key properties of 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile?
2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile is sourced from PubChem (CID 104717253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).