(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

C14H20Cl2N2O — CID 124552555

IUPAC(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C14H20Cl2N2O/c1-9-7-18(8-10(2)19-9)14(6-17)11-3-12(15)5-13(16)4-11/h3-5,9-10,14H,6-8,17H2,1-2H3/t9-,10-,14-/m1/s1
InChIKeyXKHZFFVTORRINN-GPCCPHFNSA-N
MW303.23 g/mol
LogP3.10
Rot. Bonds3

About (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (PubChem CID 124552555) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
PubChem CID124552555
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
SMILESC[C@@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C14H20Cl2N2O/c1-9-7-18(8-10(2)19-9)14(6-17)11-3-12(15)5-13(16)4-11/h3-5,9-10,14H,6-8,17H2,1-2H3/t9-,10-,14-/m1/s1
InChIKeyXKHZFFVTORRINN-GPCCPHFNSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 106528795
2-(3,5-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 106528465
1-[2-amino-1-(3,5-dichlorophenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465043
[4-[2-amino-1-(3-chlorophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932163
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methylpyrimidin-5-yl)ethanamine
CID 118497616
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224
2-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 16782210
2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43089491
2-(3,5-dichlorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The IUPAC name of (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (CID 124552555) is (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine.
What is the SMILES notation for (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The canonical SMILES for (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is C[C@@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1.
What is the InChIKey of (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
The InChIKey is XKHZFFVTORRINN-GPCCPHFNSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9-7-18(8-10(2)19-9)14(6-17)11-3-12(15)5-13(16)4-11/h3-5,9-10,14H,6-8,17H2,1-2H3/t9-,10-,14-/m1/s1.
What are the key properties of (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine?
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine has a molecular weight of 303.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine is sourced from PubChem (CID 124552555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).