1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C16H24F2N2 — CID 107522072

IUPAC1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)C(C)N(CC(N)c2ccc(F)cc2F)C1
InChIInChI=1S/C16H24F2N2/c1-10-6-11(2)12(3)20(8-10)9-16(19)14-5-4-13(17)7-15(14)18/h4-5,7,10-12,16H,6,8-9,19H2,1-3H3
InChIKeyWSMSDQSZWOUERS-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.33
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 107522072) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID107522072
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)C(C)N(CC(N)c2ccc(F)cc2F)C1
InChIInChI=1S/C16H24F2N2/c1-10-6-11(2)12(3)20(8-10)9-16(19)14-5-4-13(17)7-15(14)18/h4-5,7,10-12,16H,6,8-9,19H2,1-3H3
InChIKeyWSMSDQSZWOUERS-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 107521734
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596815
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708
1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596873
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 107520324

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 107522072) is 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is CC1CC(C)C(C)N(CC(N)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is WSMSDQSZWOUERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-10-6-11(2)12(3)20(8-10)9-16(19)14-5-4-13(17)7-15(14)18/h4-5,7,10-12,16H,6,8-9,19H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107522072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).