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

C12H17Cl3N2O2 — CID 119581253

IUPACN-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)COc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-8(6-15)16(2)12(17)7-18-11-4-3-9(13)5-10(11)14;/h3-5,8H,6-7,15H2,1-2H3;1H
InChIKeyAVKFVGPPJDBXGJ-UHFFFAOYSA-N
MW327.64 g/mol
LogP2.60
Rot. Bonds5

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

N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119581253) has the molecular formula C12H17Cl3N2O2 and a molecular weight of 327.64 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
PubChem CID119581253
Molecular FormulaC12H17Cl3N2O2
Molecular Weight327.64 g/mol
Exact Mass326.04
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)COc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-8(6-15)16(2)12(17)7-18-11-4-3-9(13)5-10(11)14;/h3-5,8H,6-7,15H2,1-2H3;1H
InChIKeyAVKFVGPPJDBXGJ-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
N-(1-aminopropan-2-yl)-2-(3,5-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119582731
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
CID 171770392
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
N-(1-aminopropan-2-yl)-3-(4-chloro-2-nitrophenoxy)-N-methylpropanamide
CID 119583214
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 17487018
2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63366702
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride (CID 119581253) is N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)COc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is AVKFVGPPJDBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2.ClH/c1-8(6-15)16(2)12(17)7-18-11-4-3-9(13)5-10(11)14;/h3-5,8H,6-7,15H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 327.64 g/mol, XLogP of 2.60, 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-dichlorophenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119581253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).