[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol

C19H23NO2 — CID 67782895

IUPAC[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C19H23NO2/c1-22-19-10-6-5-9-17(19)18-13-20(12-16(18)14-21)11-15-7-3-2-4-8-15/h2-10,16,18,21H,11-14H2,1H3/t16-,18-/m1/s1
InChIKeyBEFLFSPFUVSYEB-SJLPKXTDSA-N
MW297.40 g/mol
LogP2.90
Rot. Bonds5

About [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol (PubChem CID 67782895) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
PubChem CID67782895
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C19H23NO2/c1-22-19-10-6-5-9-17(19)18-13-20(12-16(18)14-21)11-15-7-3-2-4-8-15/h2-10,16,18,21H,11-14H2,1H3/t16-,18-/m1/s1
InChIKeyBEFLFSPFUVSYEB-SJLPKXTDSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methanol
CID 54025258
[1-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methanol
CID 19694463
[1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methanol
CID 19694437
2-[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]acetonitrile
CID 67690165
1-benzyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53422379
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 22915199
2-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-4-chlorophenol
CID 19694418
(3R,4S)-1-[(4-acetylphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133136093
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
CID 141122273
(3S,4R)-1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70344014

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol (CID 67782895) is [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol is COc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is BEFLFSPFUVSYEB-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-19-10-6-5-9-17(19)18-13-20(12-16(18)14-21)11-15-7-3-2-4-8-15/h2-10,16,18,21H,11-14H2,1H3/t16-,18-/m1/s1.
What are the key properties of [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 297.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 67782895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).