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3-[[6,6-Dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenol

HCID 53896451
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC=CC#CC(C)(C)C)Cc1cccc(O)c1
InChIKey
HUAJEFRILCHZNU-UHFFFAOYSA-N
Molecular formula
C18H25NO
Average molar mass
271.4 g/mol
Monoisotopic mass
271.19361442

Names & identifiers

Preferred name
3-[[6,6-Dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenol
IUPAC
3-[[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenol

Names & synonyms

SCHEMBL8983940

Database identifiers

PubChem CID
53896451

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
366

Related reactions

4 records
New reaction record
HRID 285170 reaction equation
HRID 285170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 949314 reaction equation
HRID 949314As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2146854 reaction equation
HRID 2146854As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2318148 reaction equation
HRID 2318148As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes