1-benzyl-2-methyl-3-phenylmethoxypyrrolidine

C19H23NO — CID 68728414

IUPAC1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
SMILESCC1C(OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16-19(21-15-18-10-6-3-7-11-18)12-13-20(16)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyFSLJHWFKSGLZST-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds5

About 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine

1-benzyl-2-methyl-3-phenylmethoxypyrrolidine (PubChem CID 68728414) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
PubChem CID68728414
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
SMILESCC1C(OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16-19(21-15-18-10-6-3-7-11-18)12-13-20(16)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyFSLJHWFKSGLZST-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
[(2S,3R,4S)-1-benzyl-2,3-dimethylpiperidin-4-yl] acetate
CID 715182
CID 67792760
CID 67792760
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 141321691
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine?
The IUPAC name of 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine (CID 68728414) is 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine.
What is the SMILES notation for 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine?
The canonical SMILES for 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine is CC1C(OCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine?
The InChIKey is FSLJHWFKSGLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16-19(21-15-18-10-6-3-7-11-18)12-13-20(16)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine?
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-phenylmethoxypyrrolidine is sourced from PubChem (CID 68728414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).