[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone

C19H21NO2 — CID 26663793

IUPAC[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-14-5-7-16(8-6-14)19(21)20-13-3-4-18(20)15-9-11-17(22-2)12-10-15/h5-12,18H,3-4,13H2,1-2H3/t18-/m0/s1
InChIKeyAVESIMSHXKASMO-SFHVURJKSA-N
MW295.38 g/mol
LogP3.98
Rot. Bonds3

About [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 26663793) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID26663793
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-14-5-7-16(8-6-14)19(21)20-13-3-4-18(20)15-9-11-17(22-2)12-10-15/h5-12,18H,3-4,13H2,1-2H3/t18-/m0/s1
InChIKeyAVESIMSHXKASMO-SFHVURJKSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 51299278
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 51254391
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42896770
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
(4-methoxy-3-nitrophenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51253887
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone (CID 26663793) is [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone is COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is AVESIMSHXKASMO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-5-7-16(8-6-14)19(21)20-13-3-4-18(20)15-9-11-17(22-2)12-10-15/h5-12,18H,3-4,13H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone?
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 26663793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).