2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide

C14H19ClN2O2 — CID 112609262

IUPAC2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(Cl)cccc1CNCC
InChIInChI=1S/C14H19ClN2O2/c1-3-8-17-13(18)10-19-14-11(9-16-4-2)6-5-7-12(14)15/h3,5-7,16H,1,4,8-10H2,2H3,(H,17,18)
InChIKeyUXQLXOIAVWWYNZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.13
Rot. Bonds8

About 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide

2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 112609262) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
PubChem CID112609262
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(Cl)cccc1CNCC
InChIInChI=1S/C14H19ClN2O2/c1-3-8-17-13(18)10-19-14-11(9-16-4-2)6-5-7-12(14)15/h3,5-7,16H,1,4,8-10H2,2H3,(H,17,18)
InChIKeyUXQLXOIAVWWYNZ-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63060124
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 114319991
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide (CID 112609262) is 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1c(Cl)cccc1CNCC.
What is the InChIKey of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is UXQLXOIAVWWYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-8-17-13(18)10-19-14-11(9-16-4-2)6-5-7-12(14)15/h3,5-7,16H,1,4,8-10H2,2H3,(H,17,18).
What are the key properties of 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 112609262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).