2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine

C15H22F2N2 — CID 55157458

IUPAC2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1(C)CCN(C(CN)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H22F2N2/c1-15(2)5-7-19(8-6-15)14(10-18)12-4-3-11(16)9-13(12)17/h3-4,9,14H,5-8,10,18H2,1-2H3
InChIKeyBIOLAFKVMJXUAI-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.09
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine

2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine (PubChem CID 55157458) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
PubChem CID55157458
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1(C)CCN(C(CN)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H22F2N2/c1-15(2)5-7-19(8-6-15)14(10-18)12-4-3-11(16)9-13(12)17/h3-4,9,14H,5-8,10,18H2,1-2H3
InChIKeyBIOLAFKVMJXUAI-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454108
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
CID 46736564
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine (CID 55157458) is 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine is CC1(C)CCN(C(CN)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is BIOLAFKVMJXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(2)5-7-19(8-6-15)14(10-18)12-4-3-11(16)9-13(12)17/h3-4,9,14H,5-8,10,18H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 55157458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).