2-(4-Cyanophenoxy)-1-methylethylamine

HCID 18972799

Substructure search Find similar structures

Basic information

Standard SMILES: CC(N)COc1ccc(C#N)cc1
InChIKey: OUUIBZDNORUONN-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.09496301

Names & identifiers

Preferred name: 2-(4-Cyanophenoxy)-1-methylethylamine
IUPAC: 4-(2-aminopropoxy)benzonitrile

Names & synonyms

SCHEMBL8605326OUUIBZDNORUONN-UHFFFAOYSA-N2-(4-cyanophenoxy)-1-methylethylamine2-(4-cyanophenoxy)- 1-methylethylamine(-)-2-(4-cyanophenoxy)-1-methylethylamine

Database identifiers

PubChem CID: 18972799

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 59 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 188

Related reactions

28 records

New reaction record

HRID 923As productuspto-grants-1998_03

HRID 926As productuspto-grants-1998_03

HRID 929As reactantuspto-grants-1998_03

HRID 143555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 285902As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 805156As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 951865As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 961520As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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