4-[3-(2-Hydroxyethylamino)propyl]benzonitrile

HCID 69071579

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: N#Cc1ccc(CCCNCCO)cc1
InChIKey: LNRQYEOEBNILCI-UHFFFAOYSA-N
Molecular formula: C12H16N2O
Average molar mass: 204.27 g/mol

Names & identifiers

Preferred name: 4-[3-(2-Hydroxyethylamino)propyl]benzonitrile
IUPAC: 4-[3-(2-hydroxyethylamino)propyl]benzonitrile

Names & synonyms

SCHEMBL4506958LNRQYEOEBNILCI-UHFFFAOYSA-N4-[3-(2-Hydroxyethylamino)propyl]benzonitrile

Database identifiers

PubChem CID: 69071579

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 56.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 201

Related reactions

9 records

New reaction record

HRID 109481As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 313758As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 899116As productuspto-grants-2008_04

HRID 899117As reactantuspto-grants-2008_04

HRID 899127As reactantuspto-grants-2008_04

HRID 899133As productuspto-grants-2008_04

HRID 899134As reactantuspto-grants-2008_04

HRID 2316541As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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