3-(4-methoxypyrrolidin-3-yl)oxyaniline

C11H16N2O2 — CID 166697782

IUPAC3-(4-methoxypyrrolidin-3-yl)oxyaniline
SMILESCOC1CNCC1Oc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-14-10-6-13-7-11(10)15-9-4-2-3-8(12)5-9/h2-5,10-11,13H,6-7,12H2,1H3
InChIKeyQYNAXJOZHJGLRC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds3

About 3-(4-methoxypyrrolidin-3-yl)oxyaniline

3-(4-methoxypyrrolidin-3-yl)oxyaniline (PubChem CID 166697782) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-methoxypyrrolidin-3-yl)oxyaniline.

Molecular Properties

Compound Name3-(4-methoxypyrrolidin-3-yl)oxyaniline
PubChem CID166697782
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(4-methoxypyrrolidin-3-yl)oxyaniline
SMILESCOC1CNCC1Oc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-14-10-6-13-7-11(10)15-9-4-2-3-8(12)5-9/h2-5,10-11,13H,6-7,12H2,1H3
InChIKeyQYNAXJOZHJGLRC-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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

3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
(E)-but-2-enedioic acid;(3S,4S)-3-methoxy-4-phenoxypyrrolidine
CID 70454058
3-methoxyaniline;sulfane
CID 174447811
4-[3-(methoxymethyl)phenoxy]pyrrolidin-3-ol
CID 63986575
[(3R)-3-(3-aminophenoxy)-4-methoxypyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 166697717
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
4-(3-ethoxyphenoxy)pyrrolidin-3-ol
CID 63704227
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115030262
tris(3-aminophenyl) phosphite
CID 21288374
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypyrrolidin-3-yl)oxyaniline?
The IUPAC name of 3-(4-methoxypyrrolidin-3-yl)oxyaniline (CID 166697782) is 3-(4-methoxypyrrolidin-3-yl)oxyaniline.
What is the SMILES notation for 3-(4-methoxypyrrolidin-3-yl)oxyaniline?
The canonical SMILES for 3-(4-methoxypyrrolidin-3-yl)oxyaniline is COC1CNCC1Oc1cccc(N)c1.
What is the InChIKey of 3-(4-methoxypyrrolidin-3-yl)oxyaniline?
The InChIKey is QYNAXJOZHJGLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-14-10-6-13-7-11(10)15-9-4-2-3-8(12)5-9/h2-5,10-11,13H,6-7,12H2,1H3.
What are the key properties of 3-(4-methoxypyrrolidin-3-yl)oxyaniline?
3-(4-methoxypyrrolidin-3-yl)oxyaniline has a molecular weight of 208.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypyrrolidin-3-yl)oxyaniline is sourced from PubChem (CID 166697782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).