methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate

C12H17NO3 — CID 107655871

IUPACmethyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
SMILESCOC(=O)CCOc1cc(CN)ccc1C
InChIInChI=1S/C12H17NO3/c1-9-3-4-10(8-13)7-11(9)16-6-5-12(14)15-2/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyFGUGZZZKMWHDEF-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.40
Rot. Bonds5

About methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate

methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate (PubChem CID 107655871) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
PubChem CID107655871
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
SMILESCOC(=O)CCOc1cc(CN)ccc1C
InChIInChI=1S/C12H17NO3/c1-9-3-4-10(8-13)7-11(9)16-6-5-12(14)15-2/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyFGUGZZZKMWHDEF-UHFFFAOYSA-N
XLogP1.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
CID 107655851
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107655696
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate?
The IUPAC name of methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate (CID 107655871) is methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate.
What is the SMILES notation for methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate?
The canonical SMILES for methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate is COC(=O)CCOc1cc(CN)ccc1C.
What is the InChIKey of methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate?
The InChIKey is FGUGZZZKMWHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-3-4-10(8-13)7-11(9)16-6-5-12(14)15-2/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate?
methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate is sourced from PubChem (CID 107655871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).