3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide

C12H17ClN2O2 — CID 112607866

IUPAC3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Cl)cccc1CN
InChIInChI=1S/C12H17ClN2O2/c1-2-15-11(16)6-7-17-12-9(8-14)4-3-5-10(12)13/h3-5H,2,6-8,14H2,1H3,(H,15,16)
InChIKeyZGQIQUIMJYZVDQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.70
Rot. Bonds6

About 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide

3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide (PubChem CID 112607866) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
PubChem CID112607866
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Cl)cccc1CN
InChIInChI=1S/C12H17ClN2O2/c1-2-15-11(16)6-7-17-12-9(8-14)4-3-5-10(12)13/h3-5H,2,6-8,14H2,1H3,(H,15,16)
InChIKeyZGQIQUIMJYZVDQ-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979
methyl 4-[2-(aminomethyl)-6-chlorophenoxy]butanoate
CID 112607571
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
CID 115954742
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
CID 115952878
1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
CID 112607841
3-[2-bromo-6-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62325837
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide (CID 112607866) is 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1c(Cl)cccc1CN.
What is the InChIKey of 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide?
The InChIKey is ZGQIQUIMJYZVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-15-11(16)6-7-17-12-9(8-14)4-3-5-10(12)13/h3-5H,2,6-8,14H2,1H3,(H,15,16).
What are the key properties of 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide?
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 112607866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).