N-(2-adamantyl)-2,6-dimethoxy-4-methylaniline

HCID 18936508
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Basic information

Standard SMILES
COc1cc(C)cc(OC)c1NC1C2CC3CC(C2)CC1C3
InChIKey
KHDZWRZFSRMCEM-UHFFFAOYSA-N
Molecular formula
C19H27NO2
Average molar mass
301.4 g/mol

Names & identifiers

Preferred name
N-(2-adamantyl)-2,6-dimethoxy-4-methylaniline
IUPAC
N-(2,6-dimethoxy-4-methylphenyl)adamantan-2-amine

Names & synonyms

SCHEMBL8710123KHDZWRZFSRMCEM-UHFFFAOYSA-NN-(2-adamantyl)-2,6-dimethoxy-4-methylaniline

Database identifiers

PubChem CID
18936508

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
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Linked notes

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