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4-(2-Methyl-2-adamantyloxy)aniline

HCID 12510285
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(Oc2ccc(N)cc2)C2CC3CC(C2)CC1C3
InChIKey
XQKHJORLDDASLV-UHFFFAOYSA-N
Molecular formula
C17H23NO
Average molar mass
257.37 g/mol

Names & identifiers

Preferred name
4-(2-Methyl-2-adamantyloxy)aniline
IUPAC
4-[(2-methyl-2-adamantyl)oxy]aniline

Names & synonyms

CHEMBL3228548SCHEMBL11446969XQKHJORLDDASLV-UHFFFAOYSA-N4-(2-Methyl-2-adamantyloxy)aniline

Database identifiers

PubChem CID
12510285
ChEMBL
CHEMBL3228548

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
317

Related reactions

4 records
New reaction record
HRID 66095 reaction equation
HRID 66095As productuspto-grants-1978_12
HRID 199544 reaction equation
HRID 199544As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 259361 reaction equation
HRID 259361As productuspto-grants-1977_07
HRID 2050212 reaction equation
HRID 2050212As productuspto-grants-1980_04

Compound notes

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