2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine

C19H22ClNO3 — CID 139798872

IUPAC2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CNC(Cl)C2c2ccccc2OC)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-22-15-7-5-4-6-13(15)18-14(11-21-19(18)20)12-8-9-16(23-2)17(10-12)24-3/h4-10,14,18-19,21H,11H2,1-3H3
InChIKeyLONPYUDJJLWPMF-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.75
Rot. Bonds5

About 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine

2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine (PubChem CID 139798872) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine
PubChem CID139798872
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CNC(Cl)C2c2ccccc2OC)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-22-15-7-5-4-6-13(15)18-14(11-21-19(18)20)12-8-9-16(23-2)17(10-12)24-3/h4-10,14,18-19,21H,11H2,1-3H3
InChIKeyLONPYUDJJLWPMF-UHFFFAOYSA-N
XLogP3.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
azane;7-(3,4-dimethoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 67741976
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]phenol
CID 91896144
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
5-[4-methoxy-3-[[(1S,8S,9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one
CID 14891386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine (CID 139798872) is 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine is COc1ccc(C2CNC(Cl)C2c2ccccc2OC)cc1OC.
What is the InChIKey of 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine?
The InChIKey is LONPYUDJJLWPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-22-15-7-5-4-6-13(15)18-14(11-21-19(18)20)12-8-9-16(23-2)17(10-12)24-3/h4-10,14,18-19,21H,11H2,1-3H3.
What are the key properties of 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine?
2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine has a molecular weight of 347.84 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 139798872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).