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

Name: 1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₈FNO₂ — CID 60678107

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
PubChem CID	60678107
Molecular Formula	C₁₇H₁₈FNO₂
Molecular Weight	287.33 g/mol
Exact Mass	287.13
IUPAC Name	1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
SMILES	COc1ccc(CN(C)c2cccc(F)c2C(C)=O)cc1
InChI	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
InChIKey	MRAJSNIRUQBMQK-UHFFFAOYSA-N
XLogP	3.67
TPSA	29.54 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.33
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 60678107 — identifiers, structure, computed properties (public domain)

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