3-Fluoro-4-(1-pyrrolidinyl)benzylamine

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Basic information

CAS: 581812-80-8
Standard SMILES: NCc1ccc(N2CCCC2)c(F)c1
InChIKey: XFCXPRPILBVTCI-UHFFFAOYSA-N
Molecular formula: C11H15FN2
Average molar mass: 194.25 g/mol
Monoisotopic mass: 194.12192665

Names & identifiers

Preferred name: 3-Fluoro-4-(1-pyrrolidinyl)benzylamine
IUPAC: (3-fluoro-4-pyrrolidin-1-ylphenyl)methanamine

Names & synonyms

3-fluoro-4-(1-pyrrolidinyl)benzylamine581812-80-8SCHEMBL4024455XFCXPRPILBVTCI-UHFFFAOYSA-NDTXSID2012539053-Fluoro-4-(1-pyrrolidinyl)benzenemethanamine1-[3-Fluoro-4-(pyrrolidin-1-yl)phenyl]methanamine

Database identifiers

CAS: 581812-80-8
PubChem CID: 22337706
DTXSID: DTXSID201253905

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 180

Related reactions

4 records

New reaction record

HRID 585987As reactantuspto-grants-2005_08

HRID 887256As reactantuspto-grants-2012_08

HRID 2056874As reactantuspto-grants-2008_02

HRID 2349335As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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