(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine

C24H27NO3 — CID 177378706

IUPAC(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine
SMILESCOc1ccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H27NO3/c1-26-23-13-12-21(15-24(23)27-2)28-17-20-10-6-14-25(20)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15,20H,6,10,14,16-17H2,1-2H3/t20-/m1/s1
InChIKeyYWFPWJALPXIKNX-HXUWFJFHSA-N
MW377.48 g/mol
LogP4.90
Rot. Bonds7

About (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine

(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine (PubChem CID 177378706) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine
PubChem CID177378706
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine
SMILESCOc1ccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H27NO3/c1-26-23-13-12-21(15-24(23)27-2)28-17-20-10-6-14-25(20)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15,20H,6,10,14,16-17H2,1-2H3/t20-/m1/s1
InChIKeyYWFPWJALPXIKNX-HXUWFJFHSA-N
XLogP4.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine?
The IUPAC name of (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine (CID 177378706) is (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine?
The canonical SMILES for (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine is COc1ccc(OC[C@H]2CCCN2Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine?
The InChIKey is YWFPWJALPXIKNX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27NO3/c1-26-23-13-12-21(15-24(23)27-2)28-17-20-10-6-14-25(20)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15,20H,6,10,14,16-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine?
(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine has a molecular weight of 377.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 177378706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).