3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile

C11H15N3O — CID 61103813

IUPAC3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
SMILESCN(C)CCOc1ccc(C#N)cc1N
InChIInChI=1S/C11H15N3O/c1-14(2)5-6-15-11-4-3-9(8-12)7-10(11)13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyINLZUJYMYVCOJK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile

3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile (PubChem CID 61103813) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
PubChem CID61103813
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
SMILESCN(C)CCOc1ccc(C#N)cc1N
InChIInChI=1S/C11H15N3O/c1-14(2)5-6-15-11-4-3-9(8-12)7-10(11)13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyINLZUJYMYVCOJK-UHFFFAOYSA-N
XLogP1.08
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[2-(dimethylamino)ethoxy]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-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 60667254
2-[2-(dimethylamino)ethoxy]-5-(2-trimethylsilylethynyl)aniline
CID 69338150
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959
3-amino-4-(4,4,4-trifluorobutoxy)benzonitrile
CID 113326203
3-amino-4-(2-cyclopentylethoxy)benzonitrile
CID 114190833
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-[[2-(2-aminophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 62971110
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
ethyl 2-(2-amino-4-cyanophenoxy)acetate
CID 61388704
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile?
The IUPAC name of 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile (CID 61103813) is 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile.
What is the SMILES notation for 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile?
The canonical SMILES for 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile is CN(C)CCOc1ccc(C#N)cc1N.
What is the InChIKey of 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile?
The InChIKey is INLZUJYMYVCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14(2)5-6-15-11-4-3-9(8-12)7-10(11)13/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile?
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile is sourced from PubChem (CID 61103813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).