Ethyl-quinolin-3-ylmethyl-amine

HCID 16640553

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCNCc1cnc2ccccc2c1
InChIKey: JMKSFFPASMGLBZ-UHFFFAOYSA-N
Molecular formula: C12H14N2
Average molar mass: 186.25 g/mol
Monoisotopic mass: 186.11569846

Names & identifiers

Preferred name: Ethyl-quinolin-3-ylmethyl-amine
IUPAC: N-(quinolin-3-ylmethyl)ethanamine

Names & synonyms

SCHEMBL1037165SCHEMBL6154350Ethyl-quinolin-3-ylmethyl-amineJMKSFFPASMGLBZ-UHFFFAOYSA-Nn-(quinolin-3-ylmethyl)ethanamineAKOS003237498

Database identifiers

PubChem CID: 16640553

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 170

Related reactions

6 records

New reaction record

HRID 120770 reaction equation

HRID 120770As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 934029 reaction equation

HRID 934029As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2115301 reaction equation

HRID 2115301As productuspto-grants-2008_10

HRID 2115465 reaction equation

HRID 2115465As reactantuspto-grants-2008_10

HRID 2115524 reaction equation

HRID 2115524As reactantuspto-grants-2008_10

HRID 2141645 reaction equation

HRID 2141645As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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