sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine

C10H14Cl2NNaO3 — CID 173432017

IUPACsodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
SMILESCNC.O=C(O)COc1ccc(Cl)cc1Cl.[H-].[Na+]
InChIInChI=1S/C8H6Cl2O3.C2H7N.Na.H/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2;;/h1-3H,4H2,(H,11,12);3H,1-2H3;;/q;;+1;-1
InChIKeyATGJJTZZAIAAJX-UHFFFAOYSA-N
MW290.12 g/mol
LogP-0.59
Rot. Bonds3

About sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine

sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine (PubChem CID 173432017) has the molecular formula C10H14Cl2NNaO3 and a molecular weight of 290.12 g/mol. Its IUPAC name is sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine.

Molecular Properties

Compound Namesodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
PubChem CID173432017
Molecular FormulaC10H14Cl2NNaO3
Molecular Weight290.12 g/mol
Exact Mass289.02
IUPAC Namesodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
SMILESCNC.O=C(O)COc1ccc(Cl)cc1Cl.[H-].[Na+]
InChIInChI=1S/C8H6Cl2O3.C2H7N.Na.H/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2;;/h1-3H,4H2,(H,11,12);3H,1-2H3;;/q;;+1;-1
InChIKeyATGJJTZZAIAAJX-UHFFFAOYSA-N
XLogP-0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
4-(2,4-dichlorophenoxy)butanoic acid;2-(2,4,5-trichlorophenoxy)acetic acid
CID 70569666
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine?
The IUPAC name of sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine (CID 173432017) is sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine.
What is the SMILES notation for sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine?
The canonical SMILES for sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine is CNC.O=C(O)COc1ccc(Cl)cc1Cl.[H-].[Na+].
What is the InChIKey of sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine?
The InChIKey is ATGJJTZZAIAAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C2H7N.Na.H/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2;;/h1-3H,4H2,(H,11,12);3H,1-2H3;;/q;;+1;-1.
What are the key properties of sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine?
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine has a molecular weight of 290.12 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine is sourced from PubChem (CID 173432017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).