2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

C16H25FN2O — CID 62136337

IUPAC2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(F)cc2C)C1
InChIInChI=1S/C16H25FN2O/c1-3-20-14-5-4-8-19(11-14)16(10-18)15-7-6-13(17)9-12(15)2/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3
InChIKeyILHOSFWFLLXIOG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.63
Rot. Bonds5

About 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 62136337) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID62136337
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(F)cc2C)C1
InChIInChI=1S/C16H25FN2O/c1-3-20-14-5-4-8-19(11-14)16(10-18)15-7-6-13(17)9-12(15)2/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3
InChIKeyILHOSFWFLLXIOG-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 54985150
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 106817344
1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63172035
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985530
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
CID 54985578
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 114075463

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 62136337) is 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is CCOC1CCCN(C(CN)c2ccc(F)cc2C)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is ILHOSFWFLLXIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-20-14-5-4-8-19(11-14)16(10-18)15-7-6-13(17)9-12(15)2/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62136337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).