methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate

C14H20FNO2 — CID 115233215

IUPACmethyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
SMILESCOC(=O)CNCC(C)(C)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-10-7-11(5-6-12(10)15)14(2,3)9-16-8-13(17)18-4/h5-7,16H,8-9H2,1-4H3
InChIKeyZIBCQFXXVLLWCN-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.17
Rot. Bonds5

About methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate

methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate (PubChem CID 115233215) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
PubChem CID115233215
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Namemethyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
SMILESCOC(=O)CNCC(C)(C)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-10-7-11(5-6-12(10)15)14(2,3)9-16-8-13(17)18-4/h5-7,16H,8-9H2,1-4H3
InChIKeyZIBCQFXXVLLWCN-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142662
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]ethanethiol
CID 115224465
1-cyano-N-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]formamide
CID 115172758
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251149
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
CID 115262544

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate (CID 115233215) is methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate is COC(=O)CNCC(C)(C)c1ccc(F)c(C)c1.
What is the InChIKey of methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate?
The InChIKey is ZIBCQFXXVLLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-7-11(5-6-12(10)15)14(2,3)9-16-8-13(17)18-4/h5-7,16H,8-9H2,1-4H3.
What are the key properties of methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate?
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate has a molecular weight of 253.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate is sourced from PubChem (CID 115233215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).