methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate

C15H22FNO2 — CID 115233720

IUPACmethyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)CCc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-15(2,14(18)19-4)11-17(3)10-9-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3
InChIKeyKGPJWWLKEYOGRI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.50
Rot. Bonds6

About methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate

methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate (PubChem CID 115233720) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
PubChem CID115233720
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)CCc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-15(2,14(18)19-4)11-17(3)10-9-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3
InChIKeyKGPJWWLKEYOGRI-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247697
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
methyl 3-[2-(5-bromothiophen-2-yl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233714
methyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832096
methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
methyl 4-(2-hydroxyphenyl)-2,2-dimethylbutanoate
CID 146319114
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate (CID 115233720) is methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)CCc1ccccc1F.
What is the InChIKey of methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate?
The InChIKey is KGPJWWLKEYOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,14(18)19-4)11-17(3)10-9-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3.
What are the key properties of methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate?
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate has a molecular weight of 267.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 115233720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).