(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine

C11H13Cl2NO — CID 102820117

IUPAC(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
SMILESClc1cccc(Cl)c1OC[C@H]1CCCN1
InChIInChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m1/s1
InChIKeyZSSBPPQHMDOBOY-MRVPVSSYSA-N
MW246.14 g/mol
LogP3.12
Rot. Bonds3

About (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine

(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine (PubChem CID 102820117) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
PubChem CID102820117
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
SMILESClc1cccc(Cl)c1OC[C@H]1CCCN1
InChIInChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m1/s1
InChIKeyZSSBPPQHMDOBOY-MRVPVSSYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
CID 107716862
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline
CID 82569796
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2S)-2-[(2-tert-butyl-6-methylphenoxy)methyl]pyrrolidine
CID 28750060
2-[(3-chloro-2-nitrophenoxy)methyl]piperidine
CID 113459399
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine (CID 102820117) is (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine is Clc1cccc(Cl)c1OC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine?
The InChIKey is ZSSBPPQHMDOBOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine?
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine has a molecular weight of 246.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 102820117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).