6-(4-Aminobenzyloxy)-2-[(N,N-dimethylamino)methyl]tetralin (HCID 21939722)

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Basic information

Standard SMILES: CN(C)CC1CCc2cc(OCc3ccc(N)cc3)ccc2C1
InChIKey: FSTUICLUZPQKTP-UHFFFAOYSA-N
Molecular formula: C20H26N2O
Average molar mass: 310.4 g/mol
Monoisotopic mass: 310.20451346

Names & identifiers

Preferred name: 6-(4-Aminobenzyloxy)-2-[(N,N-dimethylamino)methyl]tetralin
IUPAC: 4-[[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]aniline

Names & synonyms

SCHEMBL5582574FSTUICLUZPQKTP-UHFFFAOYSA-N6-(4-Aminobenzyloxy)-2-[(N,N-dimethylamino)methyl]tetralin6-[(4-aminobenzyl)oxy]-2-[(N,N-dimethylamino)methyl]tetralin

Database identifiers

PubChem CID: 21939722

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 38.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 352

Related reactions

12 records

New reaction record

HRID 100369As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 210893As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 817861As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1112939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1210522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1225666As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1242880As reactantuspto-grants-2006_10

HRID 1242881As reactantuspto-grants-2006_10

Compound notes

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