(4-Tert-butyl-benzyl)-[2-(tetrahydro-thiopyran-4-yl)-ethyl]-amine

HCID 69342005
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Basic information

Standard SMILES
CC(C)(C)c1ccc(CNCCC2CCSCC2)cc1
InChIKey
IQMYMZGDZYZZQY-UHFFFAOYSA-N
Molecular formula
C18H29NS
Average molar mass
291.5 g/mol

Names & identifiers

Preferred name
(4-Tert-butyl-benzyl)-[2-(tetrahydro-thiopyran-4-yl)-ethyl]-amine
IUPAC
N-[(4-tert-butylphenyl)methyl]-2-(thian-4-yl)ethanamine

Names & synonyms

SCHEMBL5175461IQMYMZGDZYZZQY-UHFFFAOYSA-N(4-tert-butyl-benzyl)-[2-(tetrahydro-thiopyran-4-yl)-ethyl]-amine

Database identifiers

PubChem CID
69342005

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
20

Related reactions

4 records
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Compound notes

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