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

C18H20ClNO2 — CID 71562593

IUPAC(3R)-3-[(S)-(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-/m1/s1
InChIKeyGIKANUDLIOICAL-RDTXWAMCSA-N
MW317.82 g/mol
LogP4.08
Rot. Bonds5

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

(3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562593) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562593
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(3R)-3-[(S)-(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-/m1/s1
InChIKeyGIKANUDLIOICAL-RDTXWAMCSA-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

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Related Compounds

Nisoxetine
CID 4500
Benzenepropanamine, gamma-(2-methoxyphenoxy)-N-methyl-, hydrochloride (1:1)
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Nisoxetine, (-)-
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(3H)nisoxetine
CID 53323310
(R)-3-[(S)-(3,5-dichlorophenoxy)phenylmethyl]pyrrolidine
CID 44625571
(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine
CID 71562265
(3R)-3-[(S)-(3-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562376
(3R)-3-[(S)-(2,3-dichlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562478
(3S)-3-[(R)-(2,6-dichlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562586
(3S)-3-[(R)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine
CID 71562592
(3S)-3-[(R)-(4-chloro-2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562713
(3S)-3-[(R)-(2,4-dichloro-6-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 71719533

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine (CID 71562593) is (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine is COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is GIKANUDLIOICAL-RDTXWAMCSA-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-/m1/s1.
What are the key properties of (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
(3R)-3-[(S)-(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 (3R)-3-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).