(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine

C19H23NO2 — CID 124500714

IUPAC(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cccc(OC)c1[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-21-17-11-6-12-18(22-2)19(17)16-10-7-13-20(16)14-15-8-4-3-5-9-15/h3-6,8-9,11-12,16H,7,10,13-14H2,1-2H3/t16-/m1/s1
InChIKeyCYYZASICFWQTOO-MRXNPFEDSA-N
MW297.40 g/mol
LogP4.04
Rot. Bonds5

About (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine

(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine (PubChem CID 124500714) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
PubChem CID124500714
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cccc(OC)c1[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-21-17-11-6-12-18(22-2)19(17)16-10-7-13-20(16)14-15-8-4-3-5-9-15/h3-6,8-9,11-12,16H,7,10,13-14H2,1-2H3/t16-/m1/s1
InChIKeyCYYZASICFWQTOO-MRXNPFEDSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
(3aS,9aS)-1-benzyl-5-methoxy-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
CID 10062998
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54178989
1-benzyl-2-methoxypiperidin-3-ol
CID 70527191
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
(4aS,9aR)-2-benzyl-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
CID 14975313
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
(4aS)-4-benzyl-7,8-dimethoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 163741651

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine?
The IUPAC name of (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine (CID 124500714) is (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine is COc1cccc(OC)c1[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine?
The InChIKey is CYYZASICFWQTOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-17-11-6-12-18(22-2)19(17)16-10-7-13-20(16)14-15-8-4-3-5-9-15/h3-6,8-9,11-12,16H,7,10,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine?
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine has a molecular weight of 297.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 124500714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).