(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride

C13H19ClN2O2 — CID 120623273

IUPAC(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCOCC1C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9-3-4-11(14)7-12(9)13(16)15-5-6-17-8-10(15)2;/h3-4,7,10H,5-6,8,14H2,1-2H3;1H
InChIKeyZWFXKNZIIUAETC-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.86
Rot. Bonds1

About (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride

(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 120623273) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
PubChem CID120623273
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCOCC1C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9-3-4-11(14)7-12(9)13(16)15-5-6-17-8-10(15)2;/h3-4,7,10H,5-6,8,14H2,1-2H3;1H
InChIKeyZWFXKNZIIUAETC-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.86
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-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773568
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(3-methylmorpholin-4-yl)methanone
CID 65311233
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120644954
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
CID 69149147
(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 120634085
(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
CID 62059334
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 120632693
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride (CID 120623273) is (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride is Cc1ccc(N)cc1C(=O)N1CCOCC1C.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is ZWFXKNZIIUAETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-9-3-4-11(14)7-12(9)13(16)15-5-6-17-8-10(15)2;/h3-4,7,10H,5-6,8,14H2,1-2H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride?
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.86, 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)-(3-methylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120623273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).