N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride

C14H23ClN2O2 — CID 119583890

IUPACN-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
SMILESCc1ccc(OCC(=O)N(C)C(C)CN)c(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-5-6-13(11(2)7-10)18-9-14(17)16(4)12(3)8-15;/h5-7,12H,8-9,15H2,1-4H3;1H
InChIKeyWXFXSRPONJPMKY-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.91
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119583890) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
PubChem CID119583890
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
SMILESCc1ccc(OCC(=O)N(C)C(C)CN)c(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-5-6-13(11(2)7-10)18-9-14(17)16(4)12(3)8-15;/h5-7,12H,8-9,15H2,1-4H3;1H
InChIKeyWXFXSRPONJPMKY-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119655468
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
N-(1-aminopropan-2-yl)-2-(3,5-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119582731
2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18157857
2-[2-(ethylaminomethyl)-4-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63323513
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride (CID 119583890) is N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride is Cc1ccc(OCC(=O)N(C)C(C)CN)c(C)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is WXFXSRPONJPMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-10-5-6-13(11(2)7-10)18-9-14(17)16(4)12(3)8-15;/h5-7,12H,8-9,15H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119583890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).