2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline

C22H28N2O — CID 91841165

IUPAC2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(C[C@H]1CCCN1Cc1ccccc1)C2
InChIInChI=1S/C22H28N2O/c1-25-22-10-9-20-16-23(13-11-19(20)14-22)17-21-8-5-12-24(21)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3/t21-/m1/s1
InChIKeyJZMHVZUFPOQPFF-OAQYLSRUSA-N
MW336.48 g/mol
LogP3.72
Rot. Bonds5

About 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline

2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 91841165) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID91841165
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(C[C@H]1CCCN1Cc1ccccc1)C2
InChIInChI=1S/C22H28N2O/c1-25-22-10-9-20-16-23(13-11-19(20)14-22)17-21-8-5-12-24(21)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3/t21-/m1/s1
InChIKeyJZMHVZUFPOQPFF-OAQYLSRUSA-N
XLogP3.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 14039984
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
6-methoxy-2-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 59799713
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-[[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 59799721
[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 168870314

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline (CID 91841165) is 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(C[C@H]1CCCN1Cc1ccccc1)C2.
What is the InChIKey of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is JZMHVZUFPOQPFF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O/c1-25-22-10-9-20-16-23(13-11-19(20)14-22)17-21-8-5-12-24(21)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3/t21-/m1/s1.
What are the key properties of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 336.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 91841165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).