3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine

C19H22ClNO2 — CID 121418539

IUPAC3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
SMILESCC1(Oc2cccc(Cl)c2)CCN(CCOc2ccccc2)C1
InChIInChI=1S/C19H22ClNO2/c1-19(23-18-9-5-6-16(20)14-18)10-11-21(15-19)12-13-22-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyBOBZIDGEHOLKMM-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.26
Rot. Bonds6

About 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine

3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine (PubChem CID 121418539) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
PubChem CID121418539
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
SMILESCC1(Oc2cccc(Cl)c2)CCN(CCOc2ccccc2)C1
InChIInChI=1S/C19H22ClNO2/c1-19(23-18-9-5-6-16(20)14-18)10-11-21(15-19)12-13-22-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyBOBZIDGEHOLKMM-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
CID 121430055
ethane;3-methoxy-4-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107874
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
ethane;3-(2-methoxy-4-nitrophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 145108015
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126737
1-ethyl-3-methyl-3-phenoxypyrrolidine
CID 160635374
1-(2-bromoethoxy)-4-chlorobenzene;3-(4-chlorophenoxy)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine;3-(4-chlorophenoxy)-3-methylpyrrolidine
CID 158289546
1-[2-(3-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137041
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
The IUPAC name of 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine (CID 121418539) is 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine.
What is the SMILES notation for 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
The canonical SMILES for 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine is CC1(Oc2cccc(Cl)c2)CCN(CCOc2ccccc2)C1.
What is the InChIKey of 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
The InChIKey is BOBZIDGEHOLKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-19(23-18-9-5-6-16(20)14-18)10-11-21(15-19)12-13-22-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine has a molecular weight of 331.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine is sourced from PubChem (CID 121418539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).