(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine

C19H22ClNO — CID 11381502

IUPAC(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine
SMILESClc1ccc(OC(CCc2ccccc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C19H22ClNO/c20-16-9-11-17(12-10-16)22-19(18-7-4-14-21-18)13-8-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,21H,4,7-8,13-14H2/t18-,19?/m0/s1
InChIKeyWLVFFEPGBOBOLX-OYKVQYDMSA-N
MW315.84 g/mol
LogP4.47
Rot. Bonds6

About (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine

(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine (PubChem CID 11381502) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine
PubChem CID11381502
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine
SMILESClc1ccc(OC(CCc2ccccc2)[C@@H]2CCCN2)cc1
InChIInChI=1S/C19H22ClNO/c20-16-9-11-17(12-10-16)22-19(18-7-4-14-21-18)13-8-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,21H,4,7-8,13-14H2/t18-,19?/m0/s1
InChIKeyWLVFFEPGBOBOLX-OYKVQYDMSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine?
The IUPAC name of (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine (CID 11381502) is (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine?
The canonical SMILES for (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine is Clc1ccc(OC(CCc2ccccc2)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine?
The InChIKey is WLVFFEPGBOBOLX-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-16-9-11-17(12-10-16)22-19(18-7-4-14-21-18)13-8-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,21H,4,7-8,13-14H2/t18-,19?/m0/s1.
What are the key properties of (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine?
(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine has a molecular weight of 315.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine is sourced from PubChem (CID 11381502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).