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

C15H22Cl2N2O2 — CID 61486830

IUPAC2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C15H22Cl2N2O2/c1-4-12(5-2)19-14(20)9-21-15-10(8-18-3)6-11(16)7-13(15)17/h6-7,12,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyBRYQZQZRURACNH-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.40
Rot. Bonds8

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

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486830) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
PubChem CID61486830
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C15H22Cl2N2O2/c1-4-12(5-2)19-14(20)9-21-15-10(8-18-3)6-11(16)7-13(15)17/h6-7,12,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyBRYQZQZRURACNH-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
CID 60907916
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 54879135
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (CID 61486830) is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1c(Cl)cc(Cl)cc1CNC.
What is the InChIKey of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is BRYQZQZRURACNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-4-12(5-2)19-14(20)9-21-15-10(8-18-3)6-11(16)7-13(15)17/h6-7,12,18H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 333.26 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).