methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate

C13H18FNO2 — CID 43536690

IUPACmethyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(9-13(16)17-2)15-8-7-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyPEOQKEOUXCZKDX-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.91
Rot. Bonds6

About methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate

methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate (PubChem CID 43536690) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
PubChem CID43536690
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(9-13(16)17-2)15-8-7-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyPEOQKEOUXCZKDX-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-fluorophenyl)methylamino]-4-methylpentanoate
CID 23067099
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate
CID 97253959
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
CID 43084409
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384
methyl 3-(benzylamino)butanoate
CID 13416927
methyl 3-(2-fluorophenyl)sulfonylbutanoate
CID 43536491
(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63303756
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate?
The IUPAC name of methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate (CID 43536690) is methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate?
The canonical SMILES for methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate is COC(=O)CC(C)NCCc1ccccc1F.
What is the InChIKey of methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate?
The InChIKey is PEOQKEOUXCZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(9-13(16)17-2)15-8-7-11-5-3-4-6-12(11)14/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate?
methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate has a molecular weight of 239.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate is sourced from PubChem (CID 43536690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).