(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride

C15H23ClN2O2 — CID 120625558

IUPAC(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CC(C)OC(C)(C)C1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-5-6-12(16)7-13(10)14(18)17-8-11(2)19-15(3,4)9-17;/h5-7,11H,8-9,16H2,1-4H3;1H
InChIKeyKLKMTXAAFKXNMW-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.64
Rot. Bonds1

About (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride

(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 120625558) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
PubChem CID120625558
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CC(C)OC(C)(C)C1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-5-6-12(16)7-13(10)14(18)17-8-11(2)19-15(3,4)9-17;/h5-7,11H,8-9,16H2,1-4H3;1H
InChIKeyKLKMTXAAFKXNMW-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.64
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

(5-amino-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62161116
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635302
(3-amino-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 115548782
(5-amino-2-methylphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530114
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(5-amino-2-methylphenyl)methanone
CID 120636073

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride (CID 120625558) is (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride is Cc1ccc(N)cc1C(=O)N1CC(C)OC(C)(C)C1.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is KLKMTXAAFKXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10-5-6-12(16)7-13(10)14(18)17-8-11(2)19-15(3,4)9-17;/h5-7,11H,8-9,16H2,1-4H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride?
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120625558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).