(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone

C19H21NO2 — CID 110868744

IUPAC(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC(C)C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-14-12-20(13-17(14)15-8-4-3-5-9-15)19(21)16-10-6-7-11-18(16)22-2/h3-11,14,17H,12-13H2,1-2H3
InChIKeyCXKZVKKATZZNGX-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.57
Rot. Bonds3

About (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone

(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone (PubChem CID 110868744) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
PubChem CID110868744
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC(C)C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-14-12-20(13-17(14)15-8-4-3-5-9-15)19(21)16-10-6-7-11-18(16)22-2/h3-11,14,17H,12-13H2,1-2H3
InChIKeyCXKZVKKATZZNGX-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110202770
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(2-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740534
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-bromo-2-methoxyphenyl)methanone;hydrochloride
CID 120747843
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120749697
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide
CID 120747556

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone (CID 110868744) is (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone is COc1ccccc1C(=O)N1CC(C)C(c2ccccc2)C1.
What is the InChIKey of (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone?
The InChIKey is CXKZVKKATZZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-12-20(13-17(14)15-8-4-3-5-9-15)19(21)16-10-6-7-11-18(16)22-2/h3-11,14,17H,12-13H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone?
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110868744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).