(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine

C11H13Cl2NO — CID 102820118

IUPAC(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
SMILESClc1ccc(OC[C@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1
InChIKeyMBVHYAKNESFSMG-MRVPVSSYSA-N
MW246.14 g/mol
LogP3.12
Rot. Bonds3

About (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine

(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine (PubChem CID 102820118) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
PubChem CID102820118
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
SMILESClc1ccc(OC[C@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1
InChIKeyMBVHYAKNESFSMG-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

2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
6-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682883
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine (CID 102820118) is (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine is Clc1ccc(OC[C@H]2CCCN2)cc1Cl.
What is the InChIKey of (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine?
The InChIKey is MBVHYAKNESFSMG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine?
(2R)-2-[(3,4-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-[(3,4-dichlorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 102820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).