2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C16H25FN2O — CID 83973600

IUPAC2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCN1CCC(C(CN)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-3-19-8-6-12(7-9-19)14(11-18)13-4-5-16(20-2)15(17)10-13/h4-5,10,12,14H,3,6-9,11,18H2,1-2H3
InChIKeyUQHJKYOKJNGEAK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.61
Rot. Bonds5

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

2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 83973600) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID83973600
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCN1CCC(C(CN)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-3-19-8-6-12(7-9-19)14(11-18)13-4-5-16(20-2)15(17)10-13/h4-5,10,12,14H,3,6-9,11,18H2,1-2H3
InChIKeyUQHJKYOKJNGEAK-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83973668
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974799
(4-ethylmorpholin-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 79667211
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 83973600) is 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is CCN1CCC(C(CN)c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is UQHJKYOKJNGEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19-8-6-12(7-9-19)14(11-18)13-4-5-16(20-2)15(17)10-13/h4-5,10,12,14H,3,6-9,11,18H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 83973600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).