methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate

C15H22FNO2 — CID 79413938

IUPACmethyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-10(15(18)19-5)11(2)17(4)12(3)13-8-6-7-9-14(13)16/h6-12H,1-5H3
InChIKeySLCUVUMHWGIVRW-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.02
Rot. Bonds5

About methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate

methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate (PubChem CID 79413938) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
PubChem CID79413938
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-10(15(18)19-5)11(2)17(4)12(3)13-8-6-7-9-14(13)16/h6-12H,1-5H3
InChIKeySLCUVUMHWGIVRW-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
CID 104840425
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
CID 66338215

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate (CID 79413938) is methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate is COC(=O)C(C)C(C)N(C)C(C)c1ccccc1F.
What is the InChIKey of methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate?
The InChIKey is SLCUVUMHWGIVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(15(18)19-5)11(2)17(4)12(3)13-8-6-7-9-14(13)16/h6-12H,1-5H3.
What are the key properties of methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate?
methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate has a molecular weight of 267.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate is sourced from PubChem (CID 79413938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).