methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate

C14H20FNO2 — CID 115128600

IUPACmethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)CCc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-14(2,13(17)18-4)16(3)10-9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3
InChIKeyDZPFHRCWOHSJNW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate

methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate (PubChem CID 115128600) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
PubChem CID115128600
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Namemethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)CCc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-14(2,13(17)18-4)16(3)10-9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3
InChIKeyDZPFHRCWOHSJNW-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233720
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
methyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832096
methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247697
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate (CID 115128600) is methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)CCc1ccccc1F.
What is the InChIKey of methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate?
The InChIKey is DZPFHRCWOHSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,13(17)18-4)16(3)10-9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3.
What are the key properties of methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate?
methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate has a molecular weight of 253.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).