(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine

C18H20ClNO2 — CID 71562592

IUPAC(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
SMILESCOc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m0/s1
InChIKeyGIKANUDLIOICAL-KSSFIOAISA-N
MW317.82 g/mol
LogP4.08
Rot. Bonds5

About (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine

(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562592) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562592
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
SMILESCOc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m0/s1
InChIKeyGIKANUDLIOICAL-KSSFIOAISA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine (CID 71562592) is (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine is COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is GIKANUDLIOICAL-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m0/s1.
What are the key properties of (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 317.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).