(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine

C23H22ClNO — CID 71091289

IUPAC(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@H]2CCCN2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H22ClNO/c1-17-4-2-5-18(16-17)23-6-3-15-25(23)20-9-13-22(14-10-20)26-21-11-7-19(24)8-12-21/h2,4-5,7-14,16,23H,3,6,15H2,1H3/t23-/m1/s1
InChIKeyLEYJEJJGGZPIML-HSZRJFAPSA-N
MW363.89 g/mol
LogP6.78
Rot. Bonds4

About (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine

(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine (PubChem CID 71091289) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine
PubChem CID71091289
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@H]2CCCN2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H22ClNO/c1-17-4-2-5-18(16-17)23-6-3-15-25(23)20-9-13-22(14-10-20)26-21-11-7-19(24)8-12-21/h2,4-5,7-14,16,23H,3,6,15H2,1H3/t23-/m1/s1
InChIKeyLEYJEJJGGZPIML-HSZRJFAPSA-N
XLogP6.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine?
The IUPAC name of (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine (CID 71091289) is (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine is Cc1cccc([C@H]2CCCN2c2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine?
The InChIKey is LEYJEJJGGZPIML-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-17-4-2-5-18(16-17)23-6-3-15-25(23)20-9-13-22(14-10-20)26-21-11-7-19(24)8-12-21/h2,4-5,7-14,16,23H,3,6,15H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine?
(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine has a molecular weight of 363.89 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 71091289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).