(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H23N3O2 — CID 102742669

IUPAC(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(N)cc2N)CC(C)(C)O1
InChIInChI=1S/C15H23N3O2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-6-5-10(16)7-12(11)17/h5-7H,8-9,16-17H2,1-4H3
InChIKeyBAVGTVBUYACTDV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.88
Rot. Bonds1

About (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102742669) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102742669
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(N)cc2N)CC(C)(C)O1
InChIInChI=1S/C15H23N3O2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-6-5-10(16)7-12(11)17/h5-7H,8-9,16-17H2,1-4H3
InChIKeyBAVGTVBUYACTDV-UHFFFAOYSA-N
XLogP1.88
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.88
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

(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(3-amino-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745609
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 107723950
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 61108425
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63215793
5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102745193

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102742669) is (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccc(N)cc2N)CC(C)(C)O1.
What is the InChIKey of (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is BAVGTVBUYACTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2)8-18(9-15(3,4)20-14)13(19)11-6-5-10(16)7-12(11)17/h5-7H,8-9,16-17H2,1-4H3.
What are the key properties of (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102742669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).