methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate

C15H21NO3 — CID 60880238

IUPACmethyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
SMILESCOC(=O)COc1c(C)cc(CNC2CC2)cc1C
InChIInChI=1S/C15H21NO3/c1-10-6-12(8-16-13-4-5-13)7-11(2)15(10)19-9-14(17)18-3/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeySUVVGNGDVXGBCJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds6

About methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate

methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate (PubChem CID 60880238) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
PubChem CID60880238
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
SMILESCOC(=O)COc1c(C)cc(CNC2CC2)cc1C
InChIInChI=1S/C15H21NO3/c1-10-6-12(8-16-13-4-5-13)7-11(2)15(10)19-9-14(17)18-3/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeySUVVGNGDVXGBCJ-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate
CID 119137541
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848
methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate (CID 60880238) is methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate is COC(=O)COc1c(C)cc(CNC2CC2)cc1C.
What is the InChIKey of methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate?
The InChIKey is SUVVGNGDVXGBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-12(8-16-13-4-5-13)7-11(2)15(10)19-9-14(17)18-3/h6-7,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate?
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate is sourced from PubChem (CID 60880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).