3-(4-Fluorophenylamino)propan-1-ol

HCID 22013217

Notes Reactions

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Basic information

Standard SMILES: OCCCNc1ccc(F)cc1
InChIKey: UEFGNAVSRHEYBD-UHFFFAOYSA-N
Molecular formula: C9H12FNO
Average molar mass: 169.2 g/mol
Monoisotopic mass: 169.09029217

Names & identifiers

Preferred name: 3-(4-Fluorophenylamino)propan-1-ol
IUPAC: 3-(4-fluoroanilino)propan-1-ol

Names & synonyms

SCHEMBL1533580SCHEMBL4163405UEFGNAVSRHEYBD-UHFFFAOYSA-N3-(4-fluorophenylamino)propan-1-olAKOS009030160

Database identifiers

PubChem CID: 22013217

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 113

Related reactions

8 records

New reaction record

HRID 599630As productuspto-grants-2011_03

HRID 599631As reactantuspto-grants-2011_03

HRID 941510As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1009420As productuspto-grants-2011_07

HRID 1009421As reactantuspto-grants-2011_07

HRID 1203041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2235761As productuspto-grants-2010_05

HRID 2235762As reactantuspto-grants-2010_05

Compound notes

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