2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C12H19ClN2O — CID 119502208

IUPAC2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(C)ccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-4-5-10(2)11(8-9)12(15)14-7-6-13-3;/h4-5,8,13H,6-7H2,1-3H3,(H,14,15);1H
InChIKeyXAYFDYTWBOAHJP-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.67
Rot. Bonds4

About 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119502208) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119502208
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(C)ccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-4-5-10(2)11(8-9)12(15)14-7-6-13-3;/h4-5,8,13H,6-7H2,1-3H3,(H,14,15);1H
InChIKeyXAYFDYTWBOAHJP-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
N-(3-amino-3-sulfanylidenepropyl)-2,5-dimethylbenzamide
CID 62668180
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N',2,5-trimethylbenzohydrazide
CID 116846828
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119502208) is 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cc(C)ccc1C.Cl.
What is the InChIKey of 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is XAYFDYTWBOAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-4-5-10(2)11(8-9)12(15)14-7-6-13-3;/h4-5,8,13H,6-7H2,1-3H3,(H,14,15);1H.
What are the key properties of 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119502208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).