methyl 4-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]benzoate

HCID 9902206
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Basic information

Standard SMILES
COC(=O)c1ccc(-c2ccc3c(c2)CC[C@H](CN)O3)cc1
InChIKey
DQUFESWAFBNYNZ-MRXNPFEDSA-N
Molecular formula
C18H19NO3
Average molar mass
297.3 g/mol

Names & identifiers

Preferred name
methyl 4-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]benzoate
IUPAC
methyl 4-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]benzoate

Names & synonyms

SCHEMBL6281542DQUFESWAFBNYNZ-MRXNPFEDSA-Nmethyl 4-[(2R)-2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]benzoate

Database identifiers

PubChem CID
9902206

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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