(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine

C19H22ClNO2 — CID 124942694

IUPAC(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CCOc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-21-13-4-5-16(21)12-14-22-18-6-2-3-7-19(18)23-17-10-8-15(20)9-11-17/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyAXBOCMUOFVYRHJ-MRXNPFEDSA-N
MW331.84 g/mol
LogP5.00
Rot. Bonds6

About (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine

(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine (PubChem CID 124942694) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
PubChem CID124942694
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1CCOc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-21-13-4-5-16(21)12-14-22-18-6-2-3-7-19(18)23-17-10-8-15(20)9-11-17/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyAXBOCMUOFVYRHJ-MRXNPFEDSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885
1-[3-(4-chlorophenoxy)propyl]-1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 126442594
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine (CID 124942694) is (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine is CN1CCC[C@@H]1CCOc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine?
The InChIKey is AXBOCMUOFVYRHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-21-13-4-5-16(21)12-14-22-18-6-2-3-7-19(18)23-17-10-8-15(20)9-11-17/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine?
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine has a molecular weight of 331.84 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 124942694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).