(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine

C17H17Cl2NO — CID 71562478

IUPAC(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine
SMILESClc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl
InChIInChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1
InChIKeyMCHVXQNUHBOZIA-CXAGYDPISA-N
MW322.24 g/mol
LogP4.72
Rot. Bonds4

About (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine

(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562478) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562478
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine
SMILESClc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl
InChIInChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1
InChIKeyMCHVXQNUHBOZIA-CXAGYDPISA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2,3-Dichlorophenyl)oxy]-3-((1,1-dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-2-propanol
CID 44186438
(3S)-3-[(R)-(2,6-dichloro-3,5-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 44625568
(3R)-3-[(S)-(2-chloro-3,6-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 44625569
(R)-3-[(S)-(3,5-dichlorophenoxy)phenylmethyl]pyrrolidine
CID 44625571
(3S)-3-[(R)-(2-chloro-3,6-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 71562833
(3R)-3-[(S)-(3-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562376
(3S)-3-[(R)-(2,6-dichlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562586
(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
CID 71562592
(3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
CID 71562593
(3S)-3-[(R)-(4-chloro-2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562713
(3S)-3-[(R)-phenyl-(2,3,6-trichlorophenoxy)methyl]pyrrolidine
CID 71562716
(3R)-3-[(S)-(2,6-dichloro-3,5-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 71562719

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine (CID 71562478) is (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine is Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl.
What is the InChIKey of (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is MCHVXQNUHBOZIA-CXAGYDPISA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1.
What are the key properties of (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine?
(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 322.24 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).