rel-2-[(3R,4S)-4-Amino-3-pyrrolidinyl]phenol

HCID 135040586

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Basic information

CAS: 1228108-66-4
Standard SMILES: N[C@H]1CNC[C@@H]1c1ccccc1O
InChIKey: LHEXTHCIWJDARD-BDAKNGLRSA-N
Molecular formula: C10H14N2O
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.11061307

Names & identifiers

Preferred name: rel-2-[(3R,4S)-4-Amino-3-pyrrolidinyl]phenol
IUPAC: 2-[(3S,4R)-4-aminopyrrolidin-3-yl]phenol

Names & synonyms

rel-2-[(3R,4S)-4-Amino-3-pyrrolidinyl]phenol1228108-66-4rel-2-((3R,4S)-4-Amino-3-pyrrolidinyl)phenolRefChem:379203DTXSID2012567472-[(3S,4R)-4-Aminopyrrolidin-3-yl]phenol

Database identifiers

CAS: 1228108-66-4
PubChem CID: 135040586
DTXSID: DTXSID201256747

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 58.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 174

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