methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate

C15H20FNO2 — CID 115247697

IUPACmethyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)CCc2ccccc2F)CC1
InChIInChI=1S/C15H20FNO2/c1-17(11-15(8-9-15)14(18)19-2)10-7-12-5-3-4-6-13(12)16/h3-6H,7-11H2,1-2H3
InChIKeyYIBFWNGTEJXBBY-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.25
Rot. Bonds6

About methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate

methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247697) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
PubChem CID115247697
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)CCc2ccccc2F)CC1
InChIInChI=1S/C15H20FNO2/c1-17(11-15(8-9-15)14(18)19-2)10-7-12-5-3-4-6-13(12)16/h3-6H,7-11H2,1-2H3
InChIKeyYIBFWNGTEJXBBY-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247688
methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247629
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233720
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
CID 115249625
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62270870
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
N-[(2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183079

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate (CID 115247697) is methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CN(C)CCc2ccccc2F)CC1.
What is the InChIKey of methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is YIBFWNGTEJXBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(11-15(8-9-15)14(18)19-2)10-7-12-5-3-4-6-13(12)16/h3-6H,7-11H2,1-2H3.
What are the key properties of methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).