3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine

C20H24ClNO2 — CID 66860125

IUPAC3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine
SMILESCc1c(Cl)cccc1O[C@@H](COCc1ccccc1)C1CCNC1
InChIInChI=1S/C20H24ClNO2/c1-15-18(21)8-5-9-19(15)24-20(17-10-11-22-12-17)14-23-13-16-6-3-2-4-7-16/h2-9,17,20,22H,10-14H2,1H3/t17?,20-/m0/s1
InChIKeyQHHSUITZUWYIRP-OZBJMMHXSA-N
MW345.87 g/mol
LogP4.22
Rot. Bonds7

About 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine

3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine (PubChem CID 66860125) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine
PubChem CID66860125
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine
SMILESCc1c(Cl)cccc1O[C@@H](COCc1ccccc1)C1CCNC1
InChIInChI=1S/C20H24ClNO2/c1-15-18(21)8-5-9-19(15)24-20(17-10-11-22-12-17)14-23-13-16-6-3-2-4-7-16/h2-9,17,20,22H,10-14H2,1H3/t17?,20-/m0/s1
InChIKeyQHHSUITZUWYIRP-OZBJMMHXSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine
CID 66859718
3-[1-(3-chloro-2-methylphenoxy)-3-methylbutyl]pyrrolidine
CID 77163909
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
CID 66859931
3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 76656768
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
3-[(1S)-1-(2,3-dichlorophenoxy)-2-methylsulfanylethyl]pyrrolidine
CID 66848829
(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
CID 66860095
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)-3-methylbutyl]pyrrolidine
CID 66892688
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)butyl]pyrrolidine
CID 66891122
(3S)-3-[(1R)-1-(2-chloro-4-methylphenoxy)-2-methoxyethyl]pyrrolidine
CID 123688675
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine
CID 66892340

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine?
The IUPAC name of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine (CID 66860125) is 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine.
What is the SMILES notation for 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine?
The canonical SMILES for 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine is Cc1c(Cl)cccc1O[C@@H](COCc1ccccc1)C1CCNC1.
What is the InChIKey of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine?
The InChIKey is QHHSUITZUWYIRP-OZBJMMHXSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-15-18(21)8-5-9-19(15)24-20(17-10-11-22-12-17)14-23-13-16-6-3-2-4-7-16/h2-9,17,20,22H,10-14H2,1H3/t17?,20-/m0/s1.
What are the key properties of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine?
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine has a molecular weight of 345.87 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine is sourced from PubChem (CID 66860125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).