N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine

C16H24FNO2 — CID 115830037

IUPACN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)C1COC(C)C1
InChIInChI=1S/C16H24FNO2/c1-4-18-15(13-7-11(2)20-10-13)9-12-5-6-16(19-3)14(17)8-12/h5-6,8,11,13,15,18H,4,7,9-10H2,1-3H3
InChIKeyJDIKEYHICGUUQI-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.78
Rot. Bonds6

About N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 115830037) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID115830037
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)C1COC(C)C1
InChIInChI=1S/C16H24FNO2/c1-4-18-15(13-7-11(2)20-10-13)9-12-5-6-16(19-3)14(17)8-12/h5-6,8,11,13,15,18H,4,7,9-10H2,1-3H3
InChIKeyJDIKEYHICGUUQI-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79094980
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276602
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115842776
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105025194

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine (CID 115830037) is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1ccc(OC)c(F)c1)C1COC(C)C1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is JDIKEYHICGUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-18-15(13-7-11(2)20-10-13)9-12-5-6-16(19-3)14(17)8-12/h5-6,8,11,13,15,18H,4,7,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine?
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115830037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).