(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone

C14H20N2O2 — CID 43592329

IUPAC(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1cccc(N)c1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-4-6-11(15)12(10)13(17)16-7-8-18-14(2,3)9-16/h4-6H,7-9,15H2,1-3H3
InChIKeyXNRCRSVBQQZLFM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds1

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

(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 43592329) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID43592329
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1cccc(N)c1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-4-6-11(15)12(10)13(17)16-7-8-18-14(2,3)9-16/h4-6H,7-9,15H2,1-3H3
InChIKeyXNRCRSVBQQZLFM-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
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-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
(6-amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
(E)-3-(3-aminophenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 115342969
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 43592329) is (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is Cc1cccc(N)c1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is XNRCRSVBQQZLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-4-6-11(15)12(10)13(17)16-7-8-18-14(2,3)9-16/h4-6H,7-9,15H2,1-3H3.
What are the key properties of (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43592329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).