N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine

C16H24FNO2 — CID 107657188

IUPACN-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(C)c1F)C1CCOC1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-14(13-7-9-19-10-13)11-20-15-6-4-5-12(2)16(15)17/h4-6,13-14,18H,3,7-11H2,1-2H3
InChIKeyQOGUIEHLSFEFRV-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 107657188) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID107657188
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(C)c1F)C1CCOC1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-14(13-7-9-19-10-13)11-20-15-6-4-5-12(2)16(15)17/h4-6,13-14,18H,3,7-11H2,1-2H3
InChIKeyQOGUIEHLSFEFRV-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
N'-(2-methoxyphenyl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745738
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 107657188) is N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(COc1cccc(C)c1F)C1CCOC1.
What is the InChIKey of N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is QOGUIEHLSFEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-8-18-14(13-7-9-19-10-13)11-20-15-6-4-5-12(2)16(15)17/h4-6,13-14,18H,3,7-11H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107657188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).