2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide

C12H15ClN2O2 — CID 60879262

IUPAC2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Cl)cc1CN
InChIInChI=1S/C12H15ClN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h2-4,6H,1,5,7-8,14H2,(H,15,16)
InChIKeyHEIONAABZMNEHO-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide

2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide (PubChem CID 60879262) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
PubChem CID60879262
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Cl)cc1CN
InChIInChI=1S/C12H15ClN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h2-4,6H,1,5,7-8,14H2,(H,15,16)
InChIKeyHEIONAABZMNEHO-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.48
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-prop-2-enylacetamide
CID 60881072
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
(E)-3-[5-chloro-2-[2-oxo-2-(prop-2-enylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43325009
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308886
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 66046375
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide (CID 60879262) is 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(Cl)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
The InChIKey is HEIONAABZMNEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-5-15-12(16)8-17-11-4-3-10(13)6-9(11)7-14/h2-4,6H,1,5,7-8,14H2,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 60879262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).