methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate

C14H19F2NO2 — CID 54895287

IUPACmethyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c1-9(2)8-17-14(3,13(18)19-4)12-10(15)6-5-7-11(12)16/h5-7,9,17H,8H2,1-4H3
InChIKeyQAFLGXLTGJYPQB-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate

methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate (PubChem CID 54895287) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
PubChem CID54895287
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c1-9(2)8-17-14(3,13(18)19-4)12-10(15)6-5-7-11(12)16/h5-7,9,17H,8H2,1-4H3
InChIKeyQAFLGXLTGJYPQB-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001791
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241
methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
CID 113388820
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990980

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate (CID 54895287) is methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate is COC(=O)C(C)(NCC(C)C)c1c(F)cccc1F.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate?
The InChIKey is QAFLGXLTGJYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(2)8-17-14(3,13(18)19-4)12-10(15)6-5-7-11(12)16/h5-7,9,17H,8H2,1-4H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate?
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate has a molecular weight of 271.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate is sourced from PubChem (CID 54895287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).