1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine

C19H22FNO2 — CID 20895888

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
SMILESCOc1cccc(CN2CCCC2c2cccc(F)c2)c1OC
InChIInChI=1S/C19H22FNO2/c1-22-18-10-4-7-15(19(18)23-2)13-21-11-5-9-17(21)14-6-3-8-16(20)12-14/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3
InChIKeyJPPOSOKDMYMWLR-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.18
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine

1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine (PubChem CID 20895888) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
PubChem CID20895888
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
SMILESCOc1cccc(CN2CCCC2c2cccc(F)c2)c1OC
InChIInChI=1S/C19H22FNO2/c1-22-18-10-4-7-15(19(18)23-2)13-21-11-5-9-17(21)14-6-3-8-16(20)12-14/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3
InChIKeyJPPOSOKDMYMWLR-UHFFFAOYSA-N
XLogP4.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878124
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
CID 120768575
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
CID 93242506
2-methoxy-6-[[(2S)-2-(3-methylphenyl)azepan-1-yl]methyl]phenol
CID 92878225
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558932
1-[(2,3-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952896

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine (CID 20895888) is 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine is COc1cccc(CN2CCCC2c2cccc(F)c2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine?
The InChIKey is JPPOSOKDMYMWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-22-18-10-4-7-15(19(18)23-2)13-21-11-5-9-17(21)14-6-3-8-16(20)12-14/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine?
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine has a molecular weight of 315.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 20895888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).