2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine

C14H20ClFN2O — CID 102965128

IUPAC2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2O/c1-19-10-4-3-7-18(9-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyVYRUTUZYWFHPEM-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965128) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965128
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2O/c1-19-10-4-3-7-18(9-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3
InChIKeyVYRUTUZYWFHPEM-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30122272
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,6-difluorophenyl)ethanamine
CID 63150024
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965128) is 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is COC1CCCN(C(CN)c2c(F)cccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is VYRUTUZYWFHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-19-10-4-3-7-18(9-10)13(8-17)14-11(15)5-2-6-12(14)16/h2,5-6,10,13H,3-4,7-9,17H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 286.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).