1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone

C18H20FNO3 — CID 133324534

IUPAC1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone
SMILESCOc1ccccc1OC(C)CNc1cccc(F)c1C(C)=O
InChIInChI=1S/C18H20FNO3/c1-12(23-17-10-5-4-9-16(17)22-3)11-20-15-8-6-7-14(19)18(15)13(2)21/h4-10,12,20H,11H2,1-3H3
InChIKeyIGLSRCDNNMWXCH-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.92
Rot. Bonds7

About 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone

1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone (PubChem CID 133324534) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone
PubChem CID133324534
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone
SMILESCOc1ccccc1OC(C)CNc1cccc(F)c1C(C)=O
InChIInChI=1S/C18H20FNO3/c1-12(23-17-10-5-4-9-16(17)22-3)11-20-15-8-6-7-14(19)18(15)13(2)21/h4-10,12,20H,11H2,1-3H3
InChIKeyIGLSRCDNNMWXCH-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline
CID 54801774
CID 158943354
CID 158943354
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone
CID 55431981
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
CID 79522672
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone (CID 133324534) is 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone is COc1ccccc1OC(C)CNc1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone?
The InChIKey is IGLSRCDNNMWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12(23-17-10-5-4-9-16(17)22-3)11-20-15-8-6-7-14(19)18(15)13(2)21/h4-10,12,20H,11H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone?
1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone has a molecular weight of 317.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone is sourced from PubChem (CID 133324534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).