(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

C14H20ClFN2O — CID 30122272

IUPAC(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN([C@H](CN)c2c(F)cccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C14H20ClFN2O/c1-9-7-18(8-10(2)19-9)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,9-10,13H,6-8,17H2,1-2H3/t9-,10-,13-/m1/s1
InChIKeyWWWMEEMLFPNBKO-GIPNMCIBSA-N
MW286.78 g/mol
LogP2.59
Rot. Bonds3

About (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (PubChem CID 30122272) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
PubChem CID30122272
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN([C@H](CN)c2c(F)cccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C14H20ClFN2O/c1-9-7-18(8-10(2)19-9)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,9-10,13H,6-8,17H2,1-2H3/t9-,10-,13-/m1/s1
InChIKeyWWWMEEMLFPNBKO-GIPNMCIBSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (CID 30122272) is (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.
What is the SMILES notation for (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The canonical SMILES for (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is C[C@@H]1CN([C@H](CN)c2c(F)cccc2Cl)C[C@@H](C)O1.
What is the InChIKey of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The InChIKey is WWWMEEMLFPNBKO-GIPNMCIBSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9-7-18(8-10(2)19-9)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,9-10,13H,6-8,17H2,1-2H3/t9-,10-,13-/m1/s1.
What are the key properties of (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine has a molecular weight of 286.78 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is sourced from PubChem (CID 30122272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).