2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C22H25FN2O2 — CID 8681261

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CC=C(c3ccccc3)CC2)cc1F
InChIInChI=1S/C22H25FN2O2/c1-24(15-17-8-9-21(27-2)20(23)14-17)16-22(26)25-12-10-19(11-13-25)18-6-4-3-5-7-18/h3-10,14H,11-13,15-16H2,1-2H3
InChIKeyRDNUDXBEFZTFKZ-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.58
Rot. Bonds6

About 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 8681261) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID8681261
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CC=C(c3ccccc3)CC2)cc1F
InChIInChI=1S/C22H25FN2O2/c1-24(15-17-8-9-21(27-2)20(23)14-17)16-22(26)25-12-10-19(11-13-25)18-6-4-3-5-7-18/h3-10,14H,11-13,15-16H2,1-2H3
InChIKeyRDNUDXBEFZTFKZ-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone with MolForge

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8695694
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8786562
2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 41203116
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55454407
2-[(3-chlorophenyl)methyl-methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 26512469
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55739423
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 134041772

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 8681261) is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is COc1ccc(CN(C)CC(=O)N2CC=C(c3ccccc3)CC2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is RDNUDXBEFZTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-24(15-17-8-9-21(27-2)20(23)14-17)16-22(26)25-12-10-19(11-13-25)18-6-4-3-5-7-18/h3-10,14H,11-13,15-16H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 368.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 8681261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).