2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine

C16H25FN2 — CID 63645052

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)CC(C)C2)cc1F
InChIInChI=1S/C16H25FN2/c1-11-6-12(2)10-19(9-11)16(8-18)14-5-4-13(3)15(17)7-14/h4-5,7,11-12,16H,6,8-10,18H2,1-3H3
InChIKeyVBLAPHWJWRCMPS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.11
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine

2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 63645052) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID63645052
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)CC(C)C2)cc1F
InChIInChI=1S/C16H25FN2/c1-11-6-12(2)10-19(9-11)16(8-18)14-5-4-13(3)15(17)7-14/h4-5,7,11-12,16H,6,8-10,18H2,1-3H3
InChIKeyVBLAPHWJWRCMPS-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63649121
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 83230769
2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 43081261
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63649279
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 81437164
2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 64576845
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 107453975

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine (CID 63645052) is 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(CN)N2CC(C)CC(C)C2)cc1F.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is VBLAPHWJWRCMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11-6-12(2)10-19(9-11)16(8-18)14-5-4-13(3)15(17)7-14/h4-5,7,11-12,16H,6,8-10,18H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine?
2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 63645052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).