2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C14H18F4N2 — CID 60917996

IUPAC2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1cccc(F)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H18F4N2/c15-12-5-1-3-10(7-12)13(8-19)20-6-2-4-11(9-20)14(16,17)18/h1,3,5,7,11,13H,2,4,6,8-9,19H2
InChIKeyJGUWFZQLYUEWIV-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.10
Rot. Bonds3

About 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 60917996) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID60917996
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1cccc(F)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H18F4N2/c15-12-5-1-3-10(7-12)13(8-19)20-6-2-4-11(9-20)14(16,17)18/h1,3,5,7,11,13H,2,4,6,8-9,19H2
InChIKeyJGUWFZQLYUEWIV-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115559424

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 60917996) is 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is NCC(c1cccc(F)c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is JGUWFZQLYUEWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c15-12-5-1-3-10(7-12)13(8-19)20-6-2-4-11(9-20)14(16,17)18/h1,3,5,7,11,13H,2,4,6,8-9,19H2.
What are the key properties of 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 290.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 60917996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).