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Methylnaphthylmethyl-[1,3]-dioxolan-2-ylmethylamine

HCID 18970801
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(Cc1cccc2ccccc12)CC1OCCO1
InChIKey
DXGFKLAHSMWERV-UHFFFAOYSA-N
Molecular formula
C16H19NO2
Average molar mass
257.33 g/mol
Monoisotopic mass
257.14157885

Names & identifiers

Preferred name
Methylnaphthylmethyl-[1,3]-dioxolan-2-ylmethylamine
IUPAC
1-(1,3-dioxolan-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine

Names & synonyms

SCHEMBL8548661DXGFKLAHSMWERV-UHFFFAOYSA-Nmethylnaphthylmethyl-[1,3]-dioxolan-2-ylmethylamine(1,3-dioxolan-2-ylmethyl)methyl(1-naphthylmethyl)amine

Database identifiers

PubChem CID
18970801

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
278

Related reactions

2 records
New reaction record
HRID 121132 reaction equation
HRID 121132As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 399301 reaction equation
HRID 399301As productuspto-grants-1998_10

Compound notes

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