propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate

C13H18FNO2 — CID 54940308

IUPACpropan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
SMILESCC(C)OC(=O)CN(C)Cc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(2)17-13(16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyZNYGIQGFPRGMCX-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.21
Rot. Bonds5

About propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate

propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate (PubChem CID 54940308) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
PubChem CID54940308
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namepropan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
SMILESCC(C)OC(=O)CN(C)Cc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(2)17-13(16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyZNYGIQGFPRGMCX-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
CID 54940311
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N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
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2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-phenylpropyl)acetamide
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3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
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propan-2-yl 2-[N-(benzenesulfonyl)-2-fluoroanilino]acetate
CID 50890112

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate?
The IUPAC name of propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate (CID 54940308) is propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate is CC(C)OC(=O)CN(C)Cc1ccccc1F.
What is the InChIKey of propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate?
The InChIKey is ZNYGIQGFPRGMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(2)17-13(16)9-15(3)8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate?
propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate has a molecular weight of 239.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 54940308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).