methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate

C16H25NO3 — CID 115952595

IUPACmethyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
SMILESCCNCc1cccc(C)c1OCC(C)(C)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-6-17-10-13-9-7-8-12(2)14(13)20-11-16(3,4)15(18)19-5/h7-9,17H,6,10-11H2,1-5H3
InChIKeyZFQZUHMUIBGSSS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds7

About methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate

methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate (PubChem CID 115952595) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
PubChem CID115952595
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
SMILESCCNCc1cccc(C)c1OCC(C)(C)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-6-17-10-13-9-7-8-12(2)14(13)20-11-16(3,4)15(18)19-5/h7-9,17H,6,10-11H2,1-5H3
InChIKeyZFQZUHMUIBGSSS-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
methyl 2,2-dimethyl-3-(naphthalen-1-ylmethylamino)propanoate
CID 79623968
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate (CID 115952595) is methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate is CCNCc1cccc(C)c1OCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate?
The InChIKey is ZFQZUHMUIBGSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-17-10-13-9-7-8-12(2)14(13)20-11-16(3,4)15(18)19-5/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate?
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate has a molecular weight of 279.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 115952595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).