methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate

C11H14ClNO3 — CID 112607628

IUPACmethyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
SMILESCOC(=O)CCOc1c(Cl)cccc1CN
InChIInChI=1S/C11H14ClNO3/c1-15-10(14)5-6-16-11-8(7-13)3-2-4-9(11)12/h2-4H,5-7,13H2,1H3
InChIKeyMHTCAPNOCPRSMW-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.74
Rot. Bonds5

About methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate

methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate (PubChem CID 112607628) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
PubChem CID112607628
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Namemethyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
SMILESCOC(=O)CCOc1c(Cl)cccc1CN
InChIInChI=1S/C11H14ClNO3/c1-15-10(14)5-6-16-11-8(7-13)3-2-4-9(11)12/h2-4H,5-7,13H2,1H3
InChIKeyMHTCAPNOCPRSMW-UHFFFAOYSA-N
XLogP1.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-(aminomethyl)-6-chlorophenoxy]butanoate
CID 112607571
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
methyl 4-[2-chloro-6-(propylaminomethyl)phenoxy]butanoate
CID 115953074
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate (CID 112607628) is methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate is COC(=O)CCOc1c(Cl)cccc1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate?
The InChIKey is MHTCAPNOCPRSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-10(14)5-6-16-11-8(7-13)3-2-4-9(11)12/h2-4H,5-7,13H2,1H3.
What are the key properties of methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate?
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate has a molecular weight of 243.69 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate is sourced from PubChem (CID 112607628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).