(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C14H20N2O3 — CID 61095416

IUPAC(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCOc1ccc(N)cc1C(=O)N1CC(C)OCC1C
InChIInChI=1S/C14H20N2O3/c1-9-8-19-10(2)7-16(9)14(17)12-6-11(15)4-5-13(12)18-3/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyPPCYMQXGCULXID-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds2

About (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone

(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 61095416) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID61095416
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCOc1ccc(N)cc1C(=O)N1CC(C)OCC1C
InChIInChI=1S/C14H20N2O3/c1-9-8-19-10(2)7-16(9)14(17)12-6-11(15)4-5-13(12)18-3/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyPPCYMQXGCULXID-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
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

(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(E)-1-(2,5-dimethylmorpholin-4-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 86927373
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 120632693
(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 115342884

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 61095416) is (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone is COc1ccc(N)cc1C(=O)N1CC(C)OCC1C.
What is the InChIKey of (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is PPCYMQXGCULXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-19-10(2)7-16(9)14(17)12-6-11(15)4-5-13(12)18-3/h4-6,9-10H,7-8,15H2,1-3H3.
What are the key properties of (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61095416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).