(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride

C14H20Cl2N2O3 — CID 119669799

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CC(C)OC(C)C1.Cl
InChIInChI=1S/C14H19ClN2O3.ClH/c1-8-6-17(7-9(2)20-8)14(18)10-4-11(15)12(16)5-13(10)19-3;/h4-5,8-9H,6-7,16H2,1-3H3;1H
InChIKeyFYGLZVLYVTVRAE-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.60
Rot. Bonds2

About (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride

(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 119669799) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
PubChem CID119669799
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CC(C)OC(C)C1.Cl
InChIInChI=1S/C14H19ClN2O3.ClH/c1-8-6-17(7-9(2)20-8)14(18)10-4-11(15)12(16)5-13(10)19-3;/h4-5,8-9H,6-7,16H2,1-3H3;1H
InChIKeyFYGLZVLYVTVRAE-UHFFFAOYSA-N
XLogP2.60
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(4-amino-5-chloro-2-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734706
[4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 119673070
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride (CID 119669799) is (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CC(C)OC(C)C1.Cl.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is FYGLZVLYVTVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3.ClH/c1-8-6-17(7-9(2)20-8)14(18)10-4-11(15)12(16)5-13(10)19-3;/h4-5,8-9H,6-7,16H2,1-3H3;1H.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride?
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 335.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119669799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).