4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide

C14H21ClN2O3 — CID 104664360

IUPAC4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
SMILESCNCc1cc(Cl)cc(OC)c1OCCCC(=O)NC
InChIInChI=1S/C14H21ClN2O3/c1-16-9-10-7-11(15)8-12(19-3)14(10)20-6-4-5-13(18)17-2/h7-8,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyOGLDOBNRBAGYTA-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.97
Rot. Bonds8

About 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide

4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide (PubChem CID 104664360) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
PubChem CID104664360
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
SMILESCNCc1cc(Cl)cc(OC)c1OCCCC(=O)NC
InChIInChI=1S/C14H21ClN2O3/c1-16-9-10-7-11(15)8-12(19-3)14(10)20-6-4-5-13(18)17-2/h7-8,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyOGLDOBNRBAGYTA-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
4-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891161
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104664187
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide (CID 104664360) is 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide is CNCc1cc(Cl)cc(OC)c1OCCCC(=O)NC.
What is the InChIKey of 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide?
The InChIKey is OGLDOBNRBAGYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-16-9-10-7-11(15)8-12(19-3)14(10)20-6-4-5-13(18)17-2/h7-8,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide?
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide has a molecular weight of 300.79 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide is sourced from PubChem (CID 104664360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).