2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine

C22H29NO4 — CID 55409373

IUPAC2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
SMILESCOc1ccc(OCCCN2CCCC2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C22H29NO4/c1-24-17-7-9-18(10-8-17)27-15-5-14-23-13-4-6-21(23)20-12-11-19(25-2)16-22(20)26-3/h7-12,16,21H,4-6,13-15H2,1-3H3
InChIKeyNCDIPZPDNQXVNI-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.32
Rot. Bonds9

About 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine

2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine (PubChem CID 55409373) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
PubChem CID55409373
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
SMILESCOc1ccc(OCCCN2CCCC2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C22H29NO4/c1-24-17-7-9-18(10-8-17)27-15-5-14-23-13-4-6-21(23)20-12-11-19(25-2)16-22(20)26-3/h7-12,16,21H,4-6,13-15H2,1-3H3
InChIKeyNCDIPZPDNQXVNI-UHFFFAOYSA-N
XLogP4.32
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
1-[2-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]phenyl]ethanone
CID 26546462
2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 91831409
5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 94343768
4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 124886513
8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline
CID 30385062
4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46666885
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine (CID 55409373) is 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine is COc1ccc(OCCCN2CCCC2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
The InChIKey is NCDIPZPDNQXVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-24-17-7-9-18(10-8-17)27-15-5-14-23-13-4-6-21(23)20-12-11-19(25-2)16-22(20)26-3/h7-12,16,21H,4-6,13-15H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine has a molecular weight of 371.48 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 55409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).