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

C10H14N2O — CID 74892056

IUPAC3-[(3R)-pyrrolidin-3-yl]oxyaniline
SMILESNc1cccc(O[C@@H]2CCNC2)c1
InChIInChI=1S/C10H14N2O/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7,11H2/t10-/m1/s1
InChIKeyMSSAFEKOQVIRFC-SNVBAGLBSA-N
MW178.24 g/mol
LogP1.01
Rot. Bonds2

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

3-[(3R)-pyrrolidin-3-yl]oxyaniline (PubChem CID 74892056) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(3R)-pyrrolidin-3-yl]oxyaniline.

Molecular Properties

Compound Name3-[(3R)-pyrrolidin-3-yl]oxyaniline
PubChem CID74892056
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[(3R)-pyrrolidin-3-yl]oxyaniline
SMILESNc1cccc(O[C@@H]2CCNC2)c1
InChIInChI=1S/C10H14N2O/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7,11H2/t10-/m1/s1
InChIKeyMSSAFEKOQVIRFC-SNVBAGLBSA-N
XLogP1.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.01
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-pyrrolidin-3-yloxyphenol
CID 83482218
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-pyrrolidin-3-yloxybenzaldehyde
CID 87190134
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
CID 59418392
CID 59418392
3-(4-methoxypyrrolidin-3-yl)oxyaniline
CID 166697782

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-pyrrolidin-3-yl]oxyaniline?
The IUPAC name of 3-[(3R)-pyrrolidin-3-yl]oxyaniline (CID 74892056) is 3-[(3R)-pyrrolidin-3-yl]oxyaniline.
What is the SMILES notation for 3-[(3R)-pyrrolidin-3-yl]oxyaniline?
The canonical SMILES for 3-[(3R)-pyrrolidin-3-yl]oxyaniline is Nc1cccc(O[C@@H]2CCNC2)c1.
What is the InChIKey of 3-[(3R)-pyrrolidin-3-yl]oxyaniline?
The InChIKey is MSSAFEKOQVIRFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7,11H2/t10-/m1/s1.
What are the key properties of 3-[(3R)-pyrrolidin-3-yl]oxyaniline?
3-[(3R)-pyrrolidin-3-yl]oxyaniline has a molecular weight of 178.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-pyrrolidin-3-yl]oxyaniline is sourced from PubChem (CID 74892056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).