[2-(4-Fluorophenyl)ethyl](propan-2-yl)amine

HCID 21098562

Notes Reactions

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Basic information

Standard SMILES: CC(C)NCCc1ccc(F)cc1
InChIKey: PUYBBEVWXQAXRH-UHFFFAOYSA-N
Molecular formula: C11H16FN
Average molar mass: 181.25 g/mol

Names & identifiers

Preferred name: [2-(4-Fluorophenyl)ethyl](propan-2-yl)amine
IUPAC: N-[2-(4-fluorophenyl)ethyl]propan-2-amine

Names & synonyms

[2-(4-fluorophenyl)ethyl](propan-2-yl)amine864960-92-9[2-(4-Fluorophenyl)ethyl]isopropylamineN-[2-(4-fluorophenyl)ethyl]propan-2-amineSCHEMBL3084431PUYBBEVWXQAXRH-UHFFFAOYSA-NAKOS000231120EN300-32709F1967-9357

Database identifiers

PubChem CID: 21098562

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 128

Related reactions

2 records

New reaction record

HRID 102932As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1351257As productuspto-grants-2007_05

Compound notes

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