6-Benzylamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HCID 67222829
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(NCc3ccccc3)ccc2C1
InChIKey
QXDYWLFSGMWHCK-UHFFFAOYSA-N
Molecular formula
C21H26N2O2
Average molar mass
338.4 g/mol

Names & identifiers

Preferred name
6-Benzylamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 6-(benzylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL1948827QXDYWLFSGMWHCK-UHFFFAOYSA-N6-Benzylamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67222829

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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