3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine

C20H24ClNO3 — CID 77086698

IUPAC3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(OC)c(CN2CCC(c3cccc(Cl)c3)C2)c(OC)c1
InChIInChI=1S/C20H24ClNO3/c1-23-17-10-19(24-2)18(20(11-17)25-3)13-22-8-7-15(12-22)14-5-4-6-16(21)9-14/h4-6,9-11,15H,7-8,12-13H2,1-3H3
InChIKeyMCYWUYSLICNTDS-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.36
Rot. Bonds6

About 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine

3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine (PubChem CID 77086698) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine
PubChem CID77086698
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(OC)c(CN2CCC(c3cccc(Cl)c3)C2)c(OC)c1
InChIInChI=1S/C20H24ClNO3/c1-23-17-10-19(24-2)18(20(11-17)25-3)13-22-8-7-15(12-22)14-5-4-6-16(21)9-14/h4-6,9-11,15H,7-8,12-13H2,1-3H3
InChIKeyMCYWUYSLICNTDS-UHFFFAOYSA-N
XLogP4.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26324635
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 77080163
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
CID 77080836
1-[5-[[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 99942167
4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]propoxy]-N-methylaniline;ethane
CID 164906429
(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447
[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393408
1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
CID 156722768
1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-[4-(methylamino)phenoxy]propan-2-ol
CID 164906480
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine (CID 77086698) is 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine is COc1cc(OC)c(CN2CCC(c3cccc(Cl)c3)C2)c(OC)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is MCYWUYSLICNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-23-17-10-19(24-2)18(20(11-17)25-3)13-22-8-7-15(12-22)14-5-4-6-16(21)9-14/h4-6,9-11,15H,7-8,12-13H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine?
3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine has a molecular weight of 361.87 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 77086698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).