4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline

C10H13FN2O — CID 159690612

IUPAC4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
SMILESNc1ccc(F)c(O[C@@H]2CCNC2)c1
InChIInChI=1S/C10H13FN2O/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6,12H2/t8-/m1/s1
InChIKeyGHJNMRTUSCHHOO-MRVPVSSYSA-N
MW196.23 g/mol
LogP1.15
Rot. Bonds2

About 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline

4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline (PubChem CID 159690612) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline.

Molecular Properties

Compound Name4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
PubChem CID159690612
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
SMILESNc1ccc(F)c(O[C@@H]2CCNC2)c1
InChIInChI=1S/C10H13FN2O/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6,12H2/t8-/m1/s1
InChIKeyGHJNMRTUSCHHOO-MRVPVSSYSA-N
XLogP1.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
CID 83806996
2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine
CID 170886572
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041
4-(2,5-difluorophenoxy)azepane
CID 63905212
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline?
The IUPAC name of 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline (CID 159690612) is 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline.
What is the SMILES notation for 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline?
The canonical SMILES for 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline is Nc1ccc(F)c(O[C@@H]2CCNC2)c1.
What is the InChIKey of 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline?
The InChIKey is GHJNMRTUSCHHOO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6,12H2/t8-/m1/s1.
What are the key properties of 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline?
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline has a molecular weight of 196.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline is sourced from PubChem (CID 159690612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).