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

C15H22Cl2N2O2 — CID 61486646

IUPAC2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCNCc1cc(Cl)cc(Cl)c1OCC(=O)NCCC(C)C
InChIInChI=1S/C15H22Cl2N2O2/c1-10(2)4-5-19-14(20)9-21-15-11(8-18-3)6-12(16)7-13(15)17/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeySWDYEHVJDZJTOY-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.25
Rot. Bonds8

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

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 61486646) 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-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
PubChem CID61486646
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCNCc1cc(Cl)cc(Cl)c1OCC(=O)NCCC(C)C
InChIInChI=1S/C15H22Cl2N2O2/c1-10(2)4-5-19-14(20)9-21-15-11(8-18-3)6-12(16)7-13(15)17/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeySWDYEHVJDZJTOY-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
CID 60907526
N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
CID 60888684
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide (CID 61486646) is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide is CNCc1cc(Cl)cc(Cl)c1OCC(=O)NCCC(C)C.
What is the InChIKey of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is SWDYEHVJDZJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-10(2)4-5-19-14(20)9-21-15-11(8-18-3)6-12(16)7-13(15)17/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide?
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 333.26 g/mol, XLogP of 3.25, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).