(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine

C12H15Cl2NO — CID 35754010

IUPAC(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
SMILESClc1ccc(COC[C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-16-8-10-2-1-5-15-10/h3-4,6,10,15H,1-2,5,7-8H2/t10-/m0/s1
InChIKeyOYXDNXLHCKNEGG-JTQLQIEISA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds4

About (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine

(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine (PubChem CID 35754010) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
PubChem CID35754010
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
SMILESClc1ccc(COC[C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-16-8-10-2-1-5-15-10/h3-4,6,10,15H,1-2,5,7-8H2/t10-/m0/s1
InChIKeyOYXDNXLHCKNEGG-JTQLQIEISA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
CID 62334722
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine (CID 35754010) is (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine is Clc1ccc(COC[C@@H]2CCCN2)cc1Cl.
What is the InChIKey of (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is OYXDNXLHCKNEGG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-16-8-10-2-1-5-15-10/h3-4,6,10,15H,1-2,5,7-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine?
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 260.16 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 35754010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).