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

C15H22FNO2 — CID 115253257

IUPACmethyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
SMILESCCC(CN(C)CCc1ccccc1F)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-12(15(18)19-3)11-17(2)10-9-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3
InChIKeyRASDTEUWDQPVPO-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.50
Rot. Bonds7

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

methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate (PubChem CID 115253257) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
PubChem CID115253257
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
SMILESCCC(CN(C)CCc1ccccc1F)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-12(15(18)19-3)11-17(2)10-9-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3
InChIKeyRASDTEUWDQPVPO-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
CID 113055638
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233720
methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247697
methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254701
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
CID 115253091
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate?
The IUPAC name of methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate (CID 115253257) is methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate is CCC(CN(C)CCc1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate?
The InChIKey is RASDTEUWDQPVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-12(15(18)19-3)11-17(2)10-9-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate?
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate has a molecular weight of 267.34 g/mol, XLogP of 2.50, 7 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]methyl]butanoate is sourced from PubChem (CID 115253257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).