2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide

C11H15ClN2O2 — CID 112615054

IUPAC2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
SMILESCC(Oc1c(Cl)cccc1CCN)C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-7(11(14)15)16-10-8(5-6-13)3-2-4-9(10)12/h2-4,7H,5-6,13H2,1H3,(H2,14,15)
InChIKeyHYGAPPZLARDTGI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.09
Rot. Bonds5

About 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide

2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide (PubChem CID 112615054) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
PubChem CID112615054
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
SMILESCC(Oc1c(Cl)cccc1CCN)C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-7(11(14)15)16-10-8(5-6-13)3-2-4-9(10)12/h2-4,7H,5-6,13H2,1H3,(H2,14,15)
InChIKeyHYGAPPZLARDTGI-UHFFFAOYSA-N
XLogP1.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
CID 115951957
2-[3-chloro-2-(4-methylpentoxy)phenyl]ethanamine
CID 112615068
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide (CID 112615054) is 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide is CC(Oc1c(Cl)cccc1CCN)C(N)=O.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide?
The InChIKey is HYGAPPZLARDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(11(14)15)16-10-8(5-6-13)3-2-4-9(10)12/h2-4,7H,5-6,13H2,1H3,(H2,14,15).
What are the key properties of 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide?
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide has a molecular weight of 242.71 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide is sourced from PubChem (CID 112615054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).