3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine

C20H23F2NO3 — CID 19390094

IUPAC3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CNCC2Cc2cc(F)cc(F)c2OC)cc1OC
InChIInChI=1S/C20H23F2NO3/c1-24-18-5-4-12(8-19(18)25-2)16-11-23-10-14(16)6-13-7-15(21)9-17(22)20(13)26-3/h4-5,7-9,14,16,23H,6,10-11H2,1-3H3
InChIKeyFNSXCOKBCGJGIX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.54
Rot. Bonds6

About 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine

3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine (PubChem CID 19390094) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine
PubChem CID19390094
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CNCC2Cc2cc(F)cc(F)c2OC)cc1OC
InChIInChI=1S/C20H23F2NO3/c1-24-18-5-4-12(8-19(18)25-2)16-11-23-10-14(16)6-13-7-15(21)9-17(22)20(13)26-3/h4-5,7-9,14,16,23H,6,10-11H2,1-3H3
InChIKeyFNSXCOKBCGJGIX-UHFFFAOYSA-N
XLogP3.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-(3,4-dimethoxyphenyl)-3-propyl-3a,4,5,6,7,7a-hexahydrothieno[2,3-c]pyridine
CID 177305242
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine (CID 19390094) is 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine is COc1ccc(C2CNCC2Cc2cc(F)cc(F)c2OC)cc1OC.
What is the InChIKey of 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is FNSXCOKBCGJGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-24-18-5-4-12(8-19(18)25-2)16-11-23-10-14(16)6-13-7-15(21)9-17(22)20(13)26-3/h4-5,7-9,14,16,23H,6,10-11H2,1-3H3.
What are the key properties of 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine?
3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 363.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-methoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 19390094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).