(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine

C16H21Cl2NO2 — CID 66860705

IUPAC(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
SMILESClc1cccc(Cl)c1O[C@H](C1CCOCC1)[C@@H]1CCNC1
InChIInChI=1S/C16H21Cl2NO2/c17-13-2-1-3-14(18)16(13)21-15(12-4-7-19-10-12)11-5-8-20-9-6-11/h1-3,11-12,15,19H,4-10H2/t12-,15-/m1/s1
InChIKeyXUMAZFLUWBCSIS-IUODEOHRSA-N
MW330.25 g/mol
LogP3.78
Rot. Bonds4

About (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine

(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine (PubChem CID 66860705) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
PubChem CID66860705
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
SMILESClc1cccc(Cl)c1O[C@H](C1CCOCC1)[C@@H]1CCNC1
InChIInChI=1S/C16H21Cl2NO2/c17-13-2-1-3-14(18)16(13)21-15(12-4-7-19-10-12)11-5-8-20-9-6-11/h1-3,11-12,15,19H,4-10H2/t12-,15-/m1/s1
InChIKeyXUMAZFLUWBCSIS-IUODEOHRSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
The IUPAC name of (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine (CID 66860705) is (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine is Clc1cccc(Cl)c1O[C@H](C1CCOCC1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
The InChIKey is XUMAZFLUWBCSIS-IUODEOHRSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c17-13-2-1-3-14(18)16(13)21-15(12-4-7-19-10-12)11-5-8-20-9-6-11/h1-3,11-12,15,19H,4-10H2/t12-,15-/m1/s1.
What are the key properties of (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine?
(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine has a molecular weight of 330.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine is sourced from PubChem (CID 66860705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).