methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate

C14H19F2NO4 — CID 43726123

IUPACmethyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C14H19F2NO4/c1-14(2,12(18)20-4)17-8-9-6-5-7-10(19-3)11(9)21-13(15)16/h5-7,13,17H,8H2,1-4H3
InChIKeyVWIIJUJBUZRZNB-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.34
Rot. Bonds7

About methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate

methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate (PubChem CID 43726123) has the molecular formula C14H19F2NO4 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
PubChem CID43726123
Molecular FormulaC14H19F2NO4
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Namemethyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C14H19F2NO4/c1-14(2,12(18)20-4)17-8-9-6-5-7-10(19-3)11(9)21-13(15)16/h5-7,13,17H,8H2,1-4H3
InChIKeyVWIIJUJBUZRZNB-UHFFFAOYSA-N
XLogP2.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate with MolForge

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Related Compounds

2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
CID 106187407
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
CID 113456323
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
CID 66089640
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate (CID 43726123) is methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate is COC(=O)C(C)(C)NCc1cccc(OC)c1OC(F)F.
What is the InChIKey of methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate?
The InChIKey is VWIIJUJBUZRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-14(2,12(18)20-4)17-8-9-6-5-7-10(19-3)11(9)21-13(15)16/h5-7,13,17H,8H2,1-4H3.
What are the key properties of methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate?
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate has a molecular weight of 303.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate is sourced from PubChem (CID 43726123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).