2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine

C12H18ClNO3 — CID 15177291

IUPAC2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine
SMILESCNC.Cc1cc(Cl)ccc1OC(C)C(=O)O
InChIInChI=1S/C10H11ClO3.C2H7N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-2/h3-5,7H,1-2H3,(H,12,13);3H,1-2H3
InChIKeyROGDGDPDLIVQFZ-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.34
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine

2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine (PubChem CID 15177291) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine
PubChem CID15177291
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine
SMILESCNC.Cc1cc(Cl)ccc1OC(C)C(=O)O
InChIInChI=1S/C10H11ClO3.C2H7N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-2/h3-5,7H,1-2H3,(H,12,13);3H,1-2H3
InChIKeyROGDGDPDLIVQFZ-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mecoprop
CID 7153
(4-chloro-2-Methylphenoxy)acetic acid
CID 7204
Mecoprop-P
CID 185588
Cloxyfonac
CID 22883
MCPA-sodium
CID 2724048
MCPA-2-ethylhexyl
CID 93128
Mecoprop-potassium
CID 23684575
(4-Chloro-2-methylphenoxy)acetic acid isooctyl ester
CID 33540
MCPA methyl ester
CID 17089
4-Chloro-2-methylphenoxyacetic acid ethyl ester
CID 17603
MCPA-dimethylammonium
CID 62420
2-(4-Chloro-2-cyclohexylphenoxy)acetic acid
CID 230826

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine (CID 15177291) is 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine is CNC.Cc1cc(Cl)ccc1OC(C)C(=O)O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine?
The InChIKey is ROGDGDPDLIVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3.C2H7N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-2/h3-5,7H,1-2H3,(H,12,13);3H,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine?
2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine has a molecular weight of 259.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)propanoic acid;N-methylmethanamine is sourced from PubChem (CID 15177291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).