(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C13H19N3O2 — CID 61095610

IUPAC(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N)cc2N)C(C)CO1
InChIInChI=1S/C13H19N3O2/c1-8-7-18-9(2)6-16(8)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7,14-15H2,1-2H3
InChIKeyHNSLDQGEDZODON-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds1

About (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 61095610) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID61095610
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(N)cc2N)C(C)CO1
InChIInChI=1S/C13H19N3O2/c1-8-7-18-9(2)6-16(8)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7,14-15H2,1-2H3
InChIKeyHNSLDQGEDZODON-UHFFFAOYSA-N
XLogP1.10
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095416
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103295933
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 115342884
(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62155154
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103989123

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 61095610) is (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(N)cc2N)C(C)CO1.
What is the InChIKey of (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is HNSLDQGEDZODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-7-18-9(2)6-16(8)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7,14-15H2,1-2H3.
What are the key properties of (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61095610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).