(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine

C17H18ClNO — CID 71562374

IUPAC(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine
SMILESClc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1
InChIKeyKBLODNDMWLXBEK-RHSMWYFYSA-N
MW287.79 g/mol
LogP4.07
Rot. Bonds4

About (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine

(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562374) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562374
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine
SMILESClc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1
InChIKeyKBLODNDMWLXBEK-RHSMWYFYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine (CID 71562374) is (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine is Clc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is KBLODNDMWLXBEK-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1.
What are the key properties of (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine?
(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 287.79 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).