2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

C16H26FN3O — CID 107521195

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCN1CCN(CC(N)c2ccc(OC)c(F)c2)CC1C
InChIInChI=1S/C16H26FN3O/c1-4-20-8-7-19(10-12(20)2)11-15(18)13-5-6-16(21-3)14(17)9-13/h5-6,9,12,15H,4,7-8,10-11,18H2,1-3H3
InChIKeyWIVZNHKWTSNPRW-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.86
Rot. Bonds5

About 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 107521195) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID107521195
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCN1CCN(CC(N)c2ccc(OC)c(F)c2)CC1C
InChIInChI=1S/C16H26FN3O/c1-4-20-8-7-19(10-12(20)2)11-15(18)13-5-6-16(21-3)14(17)9-13/h5-6,9,12,15H,4,7-8,10-11,18H2,1-3H3
InChIKeyWIVZNHKWTSNPRW-UHFFFAOYSA-N
XLogP1.86
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522093
2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522052
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
2-(2,5-dimethylmorpholin-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107519671
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 63633648
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
CID 63611043
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 107521195) is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is CCN1CCN(CC(N)c2ccc(OC)c(F)c2)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is WIVZNHKWTSNPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-20-8-7-19(10-12(20)2)11-15(18)13-5-6-16(21-3)14(17)9-13/h5-6,9,12,15H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 295.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107521195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).