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

C10H13Cl2NO3 — CID 16180

IUPAC2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine
SMILESCNC.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C2H7N/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
InChIKeyIUQJDHJVPLLKFL-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.29
Rot. Bonds3

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

2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine (PubChem CID 16180) has the molecular formula C10H13Cl2NO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine
PubChem CID16180
Molecular FormulaC10H13Cl2NO3
Molecular Weight266.12 g/mol
Exact Mass265.03
IUPAC Name2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine
SMILESCNC.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3.C2H7N/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
InChIKeyIUQJDHJVPLLKFL-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-Dichlorophenoxy)Acetic Acid
CID 1486
2,4-D-sodium
CID 23676704
2,4-D n-butyl ester
CID 7206
Dichlorprop
CID 8427
2,4-D Isopropyl Ester
CID 7173
Butoxyethanol ester of 2,4-dichlorophenoxyacetic acid
CID 16002
Dichlorprop-P
CID 119435
2,4-D, butoxypropyl ester
CID 15997
2-(4-(2,4-Dichlorophenoxy)phenoxy)propionic acid
CID 38687
2,4-D, propylene glycol butyl ether ester
CID 14840
2-Chlorophenoxyacetic acid
CID 11969
2,4-D-Methyl
CID 1488

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine (CID 16180) is 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine is CNC.O=C(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine?
The InChIKey is IUQJDHJVPLLKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C2H7N/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.
What are the key properties of 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine?
2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine has a molecular weight of 266.12 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine is sourced from PubChem (CID 16180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).