3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide

C13H18Cl2N2O2 — CID 54879135

IUPAC3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCNCc1cc(Cl)cc(Cl)c1OCCC(=O)N(C)C
InChIInChI=1S/C13H18Cl2N2O2/c1-16-8-9-6-10(14)7-11(15)13(9)19-5-4-12(18)17(2)3/h6-7,16H,4-5,8H2,1-3H3
InChIKeyKCZMYZRPHBXCTB-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.57
Rot. Bonds6

About 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide

3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 54879135) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID54879135
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCNCc1cc(Cl)cc(Cl)c1OCCC(=O)N(C)C
InChIInChI=1S/C13H18Cl2N2O2/c1-16-8-9-6-10(14)7-11(15)13(9)19-5-4-12(18)17(2)3/h6-7,16H,4-5,8H2,1-3H3
InChIKeyKCZMYZRPHBXCTB-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43515683
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide (CID 54879135) is 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide is CNCc1cc(Cl)cc(Cl)c1OCCC(=O)N(C)C.
What is the InChIKey of 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is KCZMYZRPHBXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-16-8-9-6-10(14)7-11(15)13(9)19-5-4-12(18)17(2)3/h6-7,16H,4-5,8H2,1-3H3.
What are the key properties of 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 305.21 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 54879135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).