(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine

C19H21Cl2NO2 — CID 66859718

IUPAC(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine
SMILESClc1cccc(O[C@@H](COCc2ccccc2)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-16-7-4-8-17(19(16)21)24-18(15-9-10-22-11-15)13-23-12-14-5-2-1-3-6-14/h1-8,15,18,22H,9-13H2/t15-,18-/m0/s1
InChIKeyBSWALRCCZJSATB-YJBOKZPZSA-N
MW366.29 g/mol
LogP4.57
Rot. Bonds7

About (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine

(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine (PubChem CID 66859718) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine
PubChem CID66859718
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine
SMILESClc1cccc(O[C@@H](COCc2ccccc2)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-16-7-4-8-17(19(16)21)24-18(15-9-10-22-11-15)13-23-12-14-5-2-1-3-6-14/h1-8,15,18,22H,9-13H2/t15-,18-/m0/s1
InChIKeyBSWALRCCZJSATB-YJBOKZPZSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine (CID 66859718) is (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine is Clc1cccc(O[C@@H](COCc2ccccc2)[C@H]2CCNC2)c1Cl.
What is the InChIKey of (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine?
The InChIKey is BSWALRCCZJSATB-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c20-16-7-4-8-17(19(16)21)24-18(15-9-10-22-11-15)13-23-12-14-5-2-1-3-6-14/h1-8,15,18,22H,9-13H2/t15-,18-/m0/s1.
What are the key properties of (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine?
(3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine has a molecular weight of 366.29 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-(2,3-dichlorophenoxy)-2-phenylmethoxyethyl]pyrrolidine is sourced from PubChem (CID 66859718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).