1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone

C17H18FNO2 — CID 60678107

IUPAC1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
SMILESCOc1ccc(CN(C)c2cccc(F)c2C(C)=O)cc1
InChIInChI=1S/C17H18FNO2/c1-12(20)17-15(18)5-4-6-16(17)19(2)11-13-7-9-14(21-3)10-8-13/h4-10H,11H2,1-3H3
InChIKeyMRAJSNIRUQBMQK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone

1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone (PubChem CID 60678107) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
PubChem CID60678107
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
SMILESCOc1ccc(CN(C)c2cccc(F)c2C(C)=O)cc1
InChIInChI=1S/C17H18FNO2/c1-12(20)17-15(18)5-4-6-16(17)19(2)11-13-7-9-14(21-3)10-8-13/h4-10H,11H2,1-3H3
InChIKeyMRAJSNIRUQBMQK-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
CID 43396772
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
CID 115994566
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522
dimethyl 2-[[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]methylidene]propanedioate
CID 135078680
1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 61417600
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
CID 60678602
2-(bromomethyl)-3-chloro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081024

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone (CID 60678107) is 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone is COc1ccc(CN(C)c2cccc(F)c2C(C)=O)cc1.
What is the InChIKey of 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
The InChIKey is MRAJSNIRUQBMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(20)17-15(18)5-4-6-16(17)19(2)11-13-7-9-14(21-3)10-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone has a molecular weight of 287.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 60678107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).