1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone

C22H28N2O2 — CID 25333493

IUPAC1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C22H28N2O2/c1-17(25)18-10-11-22(26-3)20(14-18)16-23(2)15-19-8-4-5-9-21(19)24-12-6-7-13-24/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3
InChIKeyCGFLEQQEJZUNIA-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.13
Rot. Bonds7

About 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone

1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone (PubChem CID 25333493) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone
PubChem CID25333493
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C22H28N2O2/c1-17(25)18-10-11-22(26-3)20(14-18)16-23(2)15-19-8-4-5-9-21(19)24-12-6-7-13-24/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3
InChIKeyCGFLEQQEJZUNIA-UHFFFAOYSA-N
XLogP4.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone with MolForge

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 78816997
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 46630509
3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone (CID 25333493) is 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1N1CCCC1.
What is the InChIKey of 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone?
The InChIKey is CGFLEQQEJZUNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(25)18-10-11-22(26-3)20(14-18)16-23(2)15-19-8-4-5-9-21(19)24-12-6-7-13-24/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]phenyl]ethanone is sourced from PubChem (CID 25333493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).