2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine

C16H24F2N2 — CID 115526864

IUPAC2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cccc(C(F)F)c2)C1C
InChIInChI=1S/C16H24F2N2/c1-11-5-4-8-20(12(11)2)15(10-19)13-6-3-7-14(9-13)16(17)18/h3,6-7,9,11-12,15-16H,4-5,8,10,19H2,1-2H3
InChIKeyAXUNAKVSINXIBI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.74
Rot. Bonds4

About 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine

2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 115526864) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID115526864
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cccc(C(F)F)c2)C1C
InChIInChI=1S/C16H24F2N2/c1-11-5-4-8-20(12(11)2)15(10-19)13-6-3-7-14(9-13)16(17)18/h3,6-7,9,11-12,15-16H,4-5,8,10,19H2,1-2H3
InChIKeyAXUNAKVSINXIBI-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(3-bromo-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62125147
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 55040419
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
3-(2,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62779217
2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
CID 115526755
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62123532
2-(2,3-dimethoxyphenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124787
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 115526864) is 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine is CC1CCCN(C(CN)c2cccc(C(F)F)c2)C1C.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is AXUNAKVSINXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11-5-4-8-20(12(11)2)15(10-19)13-6-3-7-14(9-13)16(17)18/h3,6-7,9,11-12,15-16H,4-5,8,10,19H2,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 115526864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).