2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide

C14H21ClN2O3 — CID 115954882

IUPAC2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cccc1CNCCOC
InChIInChI=1S/C14H21ClN2O3/c1-3-17-13(18)10-20-14-11(5-4-6-12(14)15)9-16-7-8-19-2/h4-6,16H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyJYTQEHKEYJWQAO-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.59
Rot. Bonds9

About 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide

2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide (PubChem CID 115954882) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
PubChem CID115954882
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cccc1CNCCOC
InChIInChI=1S/C14H21ClN2O3/c1-3-17-13(18)10-20-14-11(5-4-6-12(14)15)9-16-7-8-19-2/h4-6,16H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyJYTQEHKEYJWQAO-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.59
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

3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 112612673
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide (CID 115954882) is 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1c(Cl)cccc1CNCCOC.
What is the InChIKey of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide?
The InChIKey is JYTQEHKEYJWQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-17-13(18)10-20-14-11(5-4-6-12(14)15)9-16-7-8-19-2/h4-6,16H,3,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide?
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide has a molecular weight of 300.79 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 115954882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).