(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone

C21H26N2O — CID 75402551

IUPAC(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-22(2)16-18-10-12-19(13-11-18)21(24)23-14-6-9-20(23)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3
InChIKeyLNPLWMHRKHEDTH-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.60
Rot. Bonds5

About (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone

(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone (PubChem CID 75402551) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
PubChem CID75402551
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-22(2)16-18-10-12-19(13-11-18)21(24)23-14-6-9-20(23)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3
InChIKeyLNPLWMHRKHEDTH-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid
CID 61372238
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
[(2S)-2-benzylpiperidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 95637474
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
1,3-benzodioxol-5-yl-[(2S)-2-benzylpyrrolidin-1-yl]methanone
CID 32822886
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24627934
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 24627974

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone?
The IUPAC name of (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone (CID 75402551) is (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone.
What is the SMILES notation for (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone?
The canonical SMILES for (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone is CN(C)Cc1ccc(C(=O)N2CCCC2Cc2ccccc2)cc1.
What is the InChIKey of (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone?
The InChIKey is LNPLWMHRKHEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22(2)16-18-10-12-19(13-11-18)21(24)23-14-6-9-20(23)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3.
What are the key properties of (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone?
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone has a molecular weight of 322.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone is sourced from PubChem (CID 75402551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).