2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone

C17H18FNO2 — CID 60650628

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-19(11-13-3-7-15(18)8-4-13)12-17(20)14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyIKFXXUFMSFVSHC-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.15
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone

2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone (PubChem CID 60650628) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
PubChem CID60650628
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-19(11-13-3-7-15(18)8-4-13)12-17(20)14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyIKFXXUFMSFVSHC-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 60650580
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone (CID 60650628) is 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is IKFXXUFMSFVSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(11-13-3-7-15(18)8-4-13)12-17(20)14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone?
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 287.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 60650628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).