(4-Ethoxy-benzyl)-furan-2-ylmethyl-amine

Substructure search Find similar structures

Basic information

CAS: 436096-81-0
Standard SMILES: CCOc1ccc(CNCc2ccco2)cc1
InChIKey: FOMMAQICXGVACL-UHFFFAOYSA-N
Molecular formula: C14H17NO2
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.12592879

Names & identifiers

Preferred name: (4-Ethoxy-benzyl)-furan-2-ylmethyl-amine
IUPAC: 1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine

Names & synonyms

436096-81-0(4-Ethoxy-benzyl)-furan-2-ylmethyl-amineN-(4-ethoxybenzyl)-1-(furan-2-yl)methanamine1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine[(4-ethoxyphenyl)methyl](furan-2-ylmethyl)amine[(4-ethoxyphenyl)methyl](2-furylmethyl)amineA826369Oprea1_345834SCHEMBL1279329FOMMAQICXGVACL-UHFFFAOYSA-NMFCD03446306SBB007180

Show more names

AKOS000133974SB61381NS-03000DB-051140ST50020477(4-ethoxyphenyl)methyl-(2-furanylmethyl)ammonium(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium1-(4-ethoxyphenyl)-N-(2-furylmethyl)methanamine

Database identifiers

CAS: 436096-81-0
PubChem CID: 795889

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 34.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 202

Related reactions

13 records

New reaction record

HRID 193449As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 548031As reactantuspto-grants-2011_05

HRID 548032As productuspto-grants-2011_05

HRID 658597As reactantuspto-grants-2011_12

HRID 658598As productuspto-grants-2011_12

HRID 691664As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1686209As reactantuspto-grants-2012_04

HRID 1686210As productuspto-grants-2012_04

Compound notes

Loading…