2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide

C13H19ClN2O3 — CID 112607554

IUPAC2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Cl)cccc1CN
InChIInChI=1S/C13H19ClN2O3/c1-9(13(17)16-6-7-18-2)19-12-10(8-15)4-3-5-11(12)14/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyYIVLSZSRMXZBKP-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.33
Rot. Bonds7

About 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide

2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 112607554) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID112607554
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Cl)cccc1CN
InChIInChI=1S/C13H19ClN2O3/c1-9(13(17)16-6-7-18-2)19-12-10(8-15)4-3-5-11(12)14/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyYIVLSZSRMXZBKP-UHFFFAOYSA-N
XLogP1.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.33
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

2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
CID 115951957
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide (CID 112607554) is 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1c(Cl)cccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is YIVLSZSRMXZBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-9(13(17)16-6-7-18-2)19-12-10(8-15)4-3-5-11(12)14/h3-5,9H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 286.76 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112607554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).