methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate

C15H23NO3 — CID 112609166

IUPACmethyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
SMILESCCCNCc1cccc(C)c1OCCC(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-9-16-11-13-7-5-6-12(2)15(13)19-10-8-14(17)18-3/h5-7,16H,4,8-11H2,1-3H3
InChIKeyUUEGMCXDGIFALZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.44
Rot. Bonds8

About methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate

methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate (PubChem CID 112609166) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
PubChem CID112609166
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
SMILESCCCNCc1cccc(C)c1OCCC(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-9-16-11-13-7-5-6-12(2)15(13)19-10-8-14(17)18-3/h5-7,16H,4,8-11H2,1-3H3
InChIKeyUUEGMCXDGIFALZ-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
CID 115952878
methyl 4-[2-bromo-6-(propylaminomethyl)phenoxy]butanoate
CID 61390551
methyl 4-[2-chloro-6-(propylaminomethyl)phenoxy]butanoate
CID 115953074
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952798
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
N-[[3-methyl-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 115952763
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate?
The IUPAC name of methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate (CID 112609166) is methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate.
What is the SMILES notation for methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate?
The canonical SMILES for methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate is CCCNCc1cccc(C)c1OCCC(=O)OC.
What is the InChIKey of methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate?
The InChIKey is UUEGMCXDGIFALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-16-11-13-7-5-6-12(2)15(13)19-10-8-14(17)18-3/h5-7,16H,4,8-11H2,1-3H3.
What are the key properties of methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate?
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate is sourced from PubChem (CID 112609166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).