(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine

C14H20ClNO2 — CID 29088010

IUPAC(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO2/c1-17-11-12-6-7-16(10-12)8-9-18-14-5-3-2-4-13(14)15/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyQLIXWKCOISIUTQ-GFCCVEGCSA-N
MW269.77 g/mol
LogP2.69
Rot. Bonds6

About (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine

(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine (PubChem CID 29088010) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
PubChem CID29088010
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO2/c1-17-11-12-6-7-16(10-12)8-9-18-14-5-3-2-4-13(14)15/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyQLIXWKCOISIUTQ-GFCCVEGCSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920819
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563
3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
CID 114800481
(2R)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161198
(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161197
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine?
The IUPAC name of (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine (CID 29088010) is (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine is COC[C@@H]1CCN(CCOc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine?
The InChIKey is QLIXWKCOISIUTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-17-11-12-6-7-16(10-12)8-9-18-14-5-3-2-4-13(14)15/h2-5,12H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine?
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine has a molecular weight of 269.77 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 29088010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).