methylamino 2-(2,4-dichlorophenoxy)propanimidate

C10H12Cl2N2O2 — CID 144509421

IUPACmethylamino 2-(2,4-dichlorophenoxy)propanimidate
SMILES[H]/N=C(\ONC)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-6(10(13)16-14-2)15-9-4-3-7(11)5-8(9)12/h3-6,13-14H,1-2H3/b13-10-
InChIKeyCZHSZQMRIUWNCU-RAXLEYEMSA-N
MW263.12 g/mol
LogP2.89
Rot. Bonds4

About methylamino 2-(2,4-dichlorophenoxy)propanimidate

methylamino 2-(2,4-dichlorophenoxy)propanimidate (PubChem CID 144509421) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is methylamino 2-(2,4-dichlorophenoxy)propanimidate.

Molecular Properties

Compound Namemethylamino 2-(2,4-dichlorophenoxy)propanimidate
PubChem CID144509421
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Namemethylamino 2-(2,4-dichlorophenoxy)propanimidate
SMILES[H]/N=C(\ONC)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-6(10(13)16-14-2)15-9-4-3-7(11)5-8(9)12/h3-6,13-14H,1-2H3/b13-10-
InChIKeyCZHSZQMRIUWNCU-RAXLEYEMSA-N
XLogP2.89
TPSA54.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
1-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40640579
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786

Frequently Asked Questions

What is the IUPAC name of methylamino 2-(2,4-dichlorophenoxy)propanimidate?
The IUPAC name of methylamino 2-(2,4-dichlorophenoxy)propanimidate (CID 144509421) is methylamino 2-(2,4-dichlorophenoxy)propanimidate.
What is the SMILES notation for methylamino 2-(2,4-dichlorophenoxy)propanimidate?
The canonical SMILES for methylamino 2-(2,4-dichlorophenoxy)propanimidate is [H]/N=C(\ONC)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of methylamino 2-(2,4-dichlorophenoxy)propanimidate?
The InChIKey is CZHSZQMRIUWNCU-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6(10(13)16-14-2)15-9-4-3-7(11)5-8(9)12/h3-6,13-14H,1-2H3/b13-10-.
What are the key properties of methylamino 2-(2,4-dichlorophenoxy)propanimidate?
methylamino 2-(2,4-dichlorophenoxy)propanimidate has a molecular weight of 263.12 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-(2,4-dichlorophenoxy)propanimidate is sourced from PubChem (CID 144509421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).