1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone

C15H22FNO2 — CID 43795412

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1cc(F)ccc1OC)C(C)C
InChIInChI=1S/C15H22FNO2/c1-5-8-17(11(2)3)10-14(18)13-9-12(16)6-7-15(13)19-4/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyBSHRFNIOPWNDJL-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.14
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone

1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone (PubChem CID 43795412) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
PubChem CID43795412
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1cc(F)ccc1OC)C(C)C
InChIInChI=1S/C15H22FNO2/c1-5-8-17(11(2)3)10-14(18)13-9-12(16)6-7-15(13)19-4/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyBSHRFNIOPWNDJL-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
CID 64641649
2-[ethyl(3-hydroxypropyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 113468792
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone (CID 43795412) is 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone is CCCN(CC(=O)c1cc(F)ccc1OC)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone?
The InChIKey is BSHRFNIOPWNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-8-17(11(2)3)10-14(18)13-9-12(16)6-7-15(13)19-4/h6-7,9,11H,5,8,10H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone has a molecular weight of 267.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone is sourced from PubChem (CID 43795412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).