(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine

C15H21Cl2NO — CID 66892236

IUPAC(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine
SMILESCC(C)C[C@H](Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCNC1
InChIInChI=1S/C15H21Cl2NO/c1-10(2)5-15(11-3-4-18-9-11)19-14-7-12(16)6-13(17)8-14/h6-8,10-11,15,18H,3-5,9H2,1-2H3/t11-,15+/m1/s1
InChIKeyUXKDOSHWWUDGPB-ABAIWWIYSA-N
MW302.25 g/mol
LogP4.40
Rot. Bonds5

About (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine

(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine (PubChem CID 66892236) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine
PubChem CID66892236
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine
SMILESCC(C)C[C@H](Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCNC1
InChIInChI=1S/C15H21Cl2NO/c1-10(2)5-15(11-3-4-18-9-11)19-14-7-12(16)6-13(17)8-14/h6-8,10-11,15,18H,3-5,9H2,1-2H3/t11-,15+/m1/s1
InChIKeyUXKDOSHWWUDGPB-ABAIWWIYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine?
The IUPAC name of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine (CID 66892236) is (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine is CC(C)C[C@H](Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine?
The InChIKey is UXKDOSHWWUDGPB-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-10(2)5-15(11-3-4-18-9-11)19-14-7-12(16)6-13(17)8-14/h6-8,10-11,15,18H,3-5,9H2,1-2H3/t11-,15+/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine?
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine has a molecular weight of 302.25 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine is sourced from PubChem (CID 66892236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).