4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline

C11H16N2O — CID 66518354

IUPAC4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
SMILESCOc1ccc(N)cc1[C@H]1CCCN1
InChIInChI=1S/C11H16N2O/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6,12H2,1H3/t10-/m1/s1
InChIKeyJCARNGDZSCILKE-SNVBAGLBSA-N
MW192.26 g/mol
LogP1.70
Rot. Bonds2

About 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline

4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline (PubChem CID 66518354) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
PubChem CID66518354
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
SMILESCOc1ccc(N)cc1[C@H]1CCCN1
InChIInChI=1S/C11H16N2O/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6,12H2,1H3/t10-/m1/s1
InChIKeyJCARNGDZSCILKE-SNVBAGLBSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.70
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

4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
CID 66519478
2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline?
The IUPAC name of 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline (CID 66518354) is 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline.
What is the SMILES notation for 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline?
The canonical SMILES for 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline is COc1ccc(N)cc1[C@H]1CCCN1.
What is the InChIKey of 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline?
The InChIKey is JCARNGDZSCILKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6,12H2,1H3/t10-/m1/s1.
What are the key properties of 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline?
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline has a molecular weight of 192.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline is sourced from PubChem (CID 66518354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).