(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

C14H20ClFN2 — CID 124552537

IUPAC(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@H](CN)c2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2/c1-10-4-3-7-18(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/t10-,13+/m0/s1
InChIKeyMGGRPVFTHDOROX-GXFFZTMASA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

About (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (PubChem CID 124552537) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
PubChem CID124552537
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@H](CN)c2c(F)cccc2Cl)C1
InChIInChI=1S/C14H20ClFN2/c1-10-4-3-7-18(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/t10-,13+/m0/s1
InChIKeyMGGRPVFTHDOROX-GXFFZTMASA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
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
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30122272
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
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
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (CID 124552537) is (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is C[C@H]1CCCN([C@H](CN)c2c(F)cccc2Cl)C1.
What is the InChIKey of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The InChIKey is MGGRPVFTHDOROX-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10-4-3-7-18(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/t10-,13+/m0/s1.
What are the key properties of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 124552537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).