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

C11H16N2O2 — CID 141190675

IUPAC3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
SMILESCOc1cc(N)ccc1O[C@@H]1CCNC1
InChIInChI=1S/C11H16N2O2/c1-14-11-6-8(12)2-3-10(11)15-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyOXOQSHJELXJNSY-SECBINFHSA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds3

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

3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline (PubChem CID 141190675) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline.

Molecular Properties

Compound Name3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
PubChem CID141190675
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
SMILESCOc1cc(N)ccc1O[C@@H]1CCNC1
InChIInChI=1S/C11H16N2O2/c1-14-11-6-8(12)2-3-10(11)15-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyOXOQSHJELXJNSY-SECBINFHSA-N
XLogP1.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
3-(5-methoxy-2-methylphenoxy)pyrrolidine
CID 84675320
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline?
The IUPAC name of 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline (CID 141190675) is 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline.
What is the SMILES notation for 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline?
The canonical SMILES for 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline is COc1cc(N)ccc1O[C@@H]1CCNC1.
What is the InChIKey of 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline?
The InChIKey is OXOQSHJELXJNSY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-14-11-6-8(12)2-3-10(11)15-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7,12H2,1H3/t9-/m1/s1.
What are the key properties of 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline?
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline has a molecular weight of 208.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline is sourced from PubChem (CID 141190675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).