2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide

C14H19ClN2O2 — CID 60881074

IUPAC2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(Cl)cc1CNC
InChIInChI=1S/C14H19ClN2O2/c1-4-7-17-14(18)10(2)19-13-6-5-12(15)8-11(13)9-16-3/h4-6,8,10,16H,1,7,9H2,2-3H3,(H,17,18)
InChIKeyKURYMCUZJVACOB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.13
Rot. Bonds7

About 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide (PubChem CID 60881074) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
PubChem CID60881074
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(Cl)cc1CNC
InChIInChI=1S/C14H19ClN2O2/c1-4-7-17-14(18)10(2)19-13-6-5-12(15)8-11(13)9-16-3/h4-6,8,10,16H,1,7,9H2,2-3H3,(H,17,18)
InChIKeyKURYMCUZJVACOB-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
5-chloro-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82921733
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616994
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 104666115
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 115961104

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide (CID 60881074) is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(Cl)cc1CNC.
What is the InChIKey of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is KURYMCUZJVACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-7-17-14(18)10(2)19-13-6-5-12(15)8-11(13)9-16-3/h4-6,8,10,16H,1,7,9H2,2-3H3,(H,17,18).
What are the key properties of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 60881074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).