(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H17ClN2O2 — CID 113331638

IUPAC(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2N)CC(C)O1
InChIInChI=1S/C13H17ClN2O2/c1-8-6-16(7-9(2)18-8)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyJAAIWJMPDRMWPH-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.17
Rot. Bonds1

About (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 113331638) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID113331638
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2N)CC(C)O1
InChIInChI=1S/C13H17ClN2O2/c1-8-6-16(7-9(2)18-8)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyJAAIWJMPDRMWPH-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210913
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
(2-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958547
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47004692
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 113331638) is (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(Cl)c2N)CC(C)O1.
What is the InChIKey of (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is JAAIWJMPDRMWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-6-16(7-9(2)18-8)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 113331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).