3-[3-(1,3-Dioxolan-2-yl)phenoxy]propanamine

HCID 12797447

Notes Reactions

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Basic information

Standard SMILES: NCCCOc1cccc(C2OCCO2)c1
InChIKey: DSJSKLRBUNEIAX-UHFFFAOYSA-N
Molecular formula: C12H17NO3
Average molar mass: 223.27 g/mol

Names & identifiers

Preferred name: 3-[3-(1,3-Dioxolan-2-yl)phenoxy]propanamine
IUPAC: 3-[3-(1,3-dioxolan-2-yl)phenoxy]propan-1-amine

Names & synonyms

3-[3-(1,3-Dioxolan-2-yl)phenoxy]propanamineSCHEMBL9860058DSJSKLRBUNEIAX-UHFFFAOYSA-N3-[3-(1,3-Dioxolan-2-yl)phenoxy]propylamine3-[3-(1,3,-Dioxolan-2-yl)phenoxy]propanamine

Database identifiers

PubChem CID: 12797447

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 195

Related reactions

14 records

New reaction record

HRID 35035As productuspto-grants-1988_08

HRID 35036As reactantuspto-grants-1988_08

HRID 325680As productuspto-grants-1984_04

HRID 325681As reactantuspto-grants-1984_04

HRID 652088As reactantuspto-grants-1987_06

HRID 704911As reactantuspto-grants-1991_01

HRID 940371As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1236432As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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